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Anthranilic Acid
CAS: 118-92-3 | C7H7NO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
118-92-3
Molecular Formula:
C7H7NO2
Molecular Mass:
137.14 g/mol
Names and Synonyms:
Anthranilic Acid
Benzoic acid, 2-amino-
Anthranilic acid
2-Aminobenzoic acid
o-Aminobenzoic acid
o-Carboxyaniline
2-Carboxyaniline
Vitamin L1
o-Anthranilic acid
α-Aminobenzoic acid
NSC 144
NSC 40929
2-Carboxyphenylamine
1-Aminobenzene-2-carboxylic acid
2-Aminobenzenecarboxylic acid
Identifiers:
SMILES:
Nc1ccccc1C(=O)O
InChI:
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
Key Properties
Boiling Point
183 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
144-146 °C
CAS Common Chemistry
Density
1.41 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.14 g/mol | CAS Common Chemistry |
| 137.138 g/mol | RDKit | |
| 137.047678464 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.412 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Anthranilic_acid | CAS Common Chemistry |
| Boiling Point | 183 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=RWZYAGGXGHYGMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144-146 °C | CAS Common Chemistry |
| Name | Anthranilic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.9670000000000001 | RDKit |
| Molar Refractivity | 37.81370000000001 | RDKit |
