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2-(4′-Hydroxyphenylazo)Benzoic Acid
CAS: 1634-82-8 | C13H10N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1634-82-8
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.23399999999998 g/mol
Names and Synonyms:
2-(4′-Hydroxyphenylazo)Benzoic Acid
o-(p-Hydroxyphenylazo)benzoic acid
Benzoic acid, 2-[(4-hydroxyphenyl)azo]-
2-(4-Hydroxybenzeneazo)benzoic acid
2-(4′-Hydroxybenzeneazo)benzoic acid
HABA (dye)
2-[(4-Hydroxyphenyl)azo]benzoic acid
2-(4′-Hydroxyphenylazo)benzoic acid
NSC 77376
4′-Hydroxyazobenzene-2-carboxylic acid
Benzoic acid, o-[(p-hydroxyphenyl)azo]-
Benzoic acid, 2-[2-(4-hydroxyphenyl)diazenyl]-
4-Hydroxyazobenzene-2′-carboxylic acid
4-(2′-Carboxyphenylazo)phenol
HABA
2-[2-(4-Hydroxyphenyl)diazenyl]benzoic acid
Identifiers:
SMILES:
O=C(O)c1ccccc1N=Nc1ccc(O)cc1
InChI:
InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 242.23399999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 242.06914218 g/mol | RDKit |
| Heavy | Heavy Atom Count | 18 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 82.25 Ų | RDKit |
| Physical Properties | LogP | 3.5058000000000016 | RDKit |
| molecular_mass | 242.23 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(O)C=1C=CC=CC1N=NC2=CC=C(O)C=C2 | Legacy Database | |
| cas-inchi | InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18) | Legacy Database | |
| cas-inchi-key | InChIKey=DWQOTEPNRWVUDA-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 206-207 °C | Legacy Database | |
| cas-name | 2-(4′-Hydroxyphenylazo)benzoic acid | Legacy Database | |
| Molar | Molar Refractivity | 65.68410000000003 | RDKit |
