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Acetic Acid
CAS: 64-19-7 | C2H4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64-19-7
Molecular Formula:
C2H4O2
Molecular Weight:
60.05200000000001 g/mol
Names and Synonyms:
Acetic Acid
Glacial acetic acid
Ethylic acid
Ethanoic acid
Acetic acid
Acetic acid HAC
Cedrosa
Acetic acids
HACP 85
Engage Agro
Weed Pharm
Munger Horticultural Vinegar Plus
NSC 406306
NSC 132953
NSC 127175
NSC 115870
NSC 112209
NSC 111201
E 260
Aci-Jel
Ethanoic acid monomer
Vinegar acid
Methanecarboxylic acid
Identifiers:
SMILES:
CC(=O)O
InChI:
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
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 | 60.05200000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 60.021129368000004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.09089999999999993 | RDKit |
| molecular_mass | 60.05 g/mol | Legacy Database |
| density | 1.04 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Acetic_acid None | Legacy Database |
| cas-boiling-point | 117.9 °C None | Legacy Database |
| cas-canonical-smile | O=C(O)C None | Legacy Database |
| cas-density | 1.0446 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 16.6 °C None | Legacy Database |
| cas-name | Acetic acid None | Legacy Database |
| wikipedia-name | Acetic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.309800000000001 | RDKit |
