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Lauric Acid
CAS: 143-07-7 | C12H24O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
143-07-7
Molecular Formula:
C12H24O2
Molecular Weight:
200.32199999999997 g/mol
Names and Synonyms:
Lauric Acid
NS 6
Radiacid 0624
Coconut Hard 42
Coconut Hard 34
Edenor C12-99
D 97385
Palmae 99-12
Dodecanoates
Laurates
Lasacid FC 12
Edenor C 12-98-100
Palmera B 1231
Edenor 12/98-100
Palmac 98-12
Imex C 1299
1-Dodecanoic acid
ContraZeck
Prifrac 2920
Edenor C 12
Prifac 2922
NAA 122
NSC 5026
Edenor C 1298-100
Philacid 1200
Kortacid 1299
NAA 312
Hystrene 9512
Lunac L 98
Nissan NAA 122
Prifac 2920
Emery 651
Lunac L 70
Neo-Fat 12
n-Dodecanoic acid
Neo-Fat 12-43
Vulvic acid
Dodecylic acid
Univol U 314
Aliphat No. 4
ABL
1-Undecanecarboxylic acid
Laurostearic acid
Lauric acid
Dodecanoic acid
Identifiers:
SMILES:
CCCCCCCCCCCC(=O)O
InChI:
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
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
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 200.32 g/mol | Legacy Database |
density | 0.88 g/cm³ | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Lauric_acid None | Legacy Database |
cas-boiling-point | 298.9 °C None | Legacy Database |
cas-canonical-smile | O=C(O)CCCCCCCCCCC None | Legacy Database |
cas-density | 0.883 g/cm3 @ Temp: 20 °C None | Legacy Database |
cas-inchi | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) None | Legacy Database |
cas-inchi-key | InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 44.2 °C None | Legacy Database |
cas-name | Lauric acid None | Legacy Database |
wikipedia-name | Lauric acid None | Legacy Database |
LogP | 3.991900000000002 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 200.32199999999997 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 200.177630008 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 14 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 1 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 10 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 59.47980000000005 | RDKit |