Back to Search
Molecule
Fenamic Acid
CAS: 91-40-7 · C13H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 91-40-7
- Molecular Formula
- C13H11NO2
- Molecular Mass
- 213.24 g/mol
Identifiers
CAS Registry Number
91-40-7
SMILES
O=C(O)c1ccccc1Nc1ccccc1
InChI Key
ZWJINEZUASEZBH-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
Names and Synonyms
- Fenamic Acid Synonym
- Benzoic acid, 2-(phenylamino)- Synonym
- Anthranilic acid, N-phenyl- Synonym
- 2-(Phenylamino)benzoic acid Synonym
- o-Anilinobenzoic acid Synonym
- 2-Anilinobenzoic acid Synonym
- Diphenylamine-2-carboxylic acid Synonym
- Fenamic acid Synonym
- 2-Carboxydiphenylamine Synonym
- N-Phenylanthranilic acid Synonym
- N-Phenyl-o-aminobenzoic acid Synonym
- N-Phenyl-2-aminobenzoic acid Synonym
- o-Carboxydiphenylamine Synonym
- Diphenylamine-2-carboxylate Synonym
- o-(Phenylamino)benzoic acid Synonym
- NSC 215211 Synonym
- NSC 4273 Synonym
- DPC Synonym
- DPC (chloride channel inhibitor) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.24 g/mol | CAS Common Chemistry |
| 213.236 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fenamic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=1C=CC=CC1NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=ZWJINEZUASEZBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 183.5 °C | CAS Common Chemistry |
| Name | N-Phenylanthranilic acid | CAS Common Chemistry |
| Fenamic acid | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 3.128400000000001 | RDKit |
| 3.1284 | RDKit | |
| Molar Refractivity | 63.126000000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 213.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 213.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11NO2.
