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Chemistry Of Ascorbic Acid
CAS: 50-81-7 | C6H8O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-81-7
Molecular Formula:
C6H8O6
Molecular Weight:
176.124 g/mol
Names and Synonyms:
Chemistry Of Ascorbic Acid
Vitamin C Type SS
Vitaminum C Aflofarm
5-(1,2-Dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one
5-(1,2-Dihydroxyethyl)-3,4-dihydroxy-2(5H)-furanone
5-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5H-furan-2-one
Novasol Cof
Emvit-C
Bovi-C
Energil C
Ascorbalox
Pascorbin
Monovitan C
Vaginorm-C
Tanvimil C
Cevarol
Vitashure 160
Rovimix C-EC
Cinal
100M
VC 40
C-L 6/PW
Ascorell
Cell C
NSC 33832
NSC 218455
E 300
Cetebe
Cetane-Caps TC
Cetane
Ascorbicap
Ceklin
Cewin
Viscorin 100M
Suncoat VC 40
Kangbingfeng
VC 97
P 1110
Vasc
Rovimix C
Juvamine
Rontex 100
L-(+)-Ascorbic acid
Ronotec 100
L-threo-Ascorbic acid
Chewcee
Citrovit
(+)-Ascorbic acid
Neo-Valdrin
Hicee
Ascoltin
Viscorin
IDO-C
Vitace
Viforcit
Ascorbutina
Cemagyl
Cebion
Celaskon
Xitix
Scorbu C
Colascor
Cetamid
Hybrin
Adenex
Testascorbic
C-Vimin
L-Xyloascorbic acid
Cevital
Xyloascorbic acid, L-
L-Lyxoascorbic acid
Ascorbic acid
L-threo-Hex-2-enonic acid, γ-lactone
Vitacee
Redoxon
Vitascorbol
Vitamisin
Vitamin C
Vitacin
Vitacimin
Vicin
Vicelat
Secorbate
Ribena
C-Quin
Proscorbin
Planavit C
3-Oxo-L-gulofuranolactone
Liqui-Cee
Lemascorb
Laroscorbine
L-3-Keto-threo-hexuronic acid lactone
3-keto-L-Gulofuranolactone
Davitamon C
Concemin
Cipca
Ciamin
Cevitex
Cevitan
Cevitamin
Cevitamic acid
Ce-Vi-Sol
Cevimin
Cevex
Cevatine
Cevalin
Cetemican
Cescorbat
Cergona
Cereon
Cenetone
Ce-Mi-Lin
Celin
Ceglion
Cegiolan
Cecon
Cebione
Cebicure
Catavin C
Cantaxin
Cantan
Ascorvit
Ascorteal
Ascorin
Ascorbajen
Antiscorbutic vitamin
Antiscorbic vitamin
Allercorb
L-Ascorbic acid
Identifiers:
SMILES:
O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChI:
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 176.124 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 176.032087976 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 107.22000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.4073999999999995 | RDKit |
| molecular_mass | 176.12 g/mol | Legacy Database |
| density | 1.65 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chemistry_of_ascorbic_acid None | Legacy Database |
| cas-canonical-smile | O=C1OC(C(O)=C1O)C(O)CO None | Legacy Database |
| cas-density | 1.65 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=CIWBSHSKHKDKBQ-JLAZNSOCSA-N None | Legacy Database |
| cas-melting-point | 190-192 °C (decomp) None | Legacy Database |
| cas-name | L-Ascorbic acid None | Legacy Database |
| wikipedia-name | Chemistry of ascorbic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.25619999999999 | RDKit |
