Back to Search
2-(4-Hydroxyphenyl)Propionic Acid
CAS: 938-96-5 | C9H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
938-96-5
Molecular Formula:
C9H10O3
Molecular Mass:
166.18 g/mol
Names and Synonyms:
2-(4-Hydroxyphenyl)Propionic Acid
Benzeneacetic acid, 4-hydroxy-α-methyl-
Hydratropic acid, p-hydroxy-
4-Hydroxy-α-methylbenzeneacetic acid
2-(p-Hydroxyphenyl)-propionic acid
2-(4-Hydroxyphenyl)propionic acid
2-(4-Hydroxyphenyl)propanoic acid
Methyl 4-hydroxyphenylacetic acid
2-(4′-Hydroxyphenyl)-propionic acid
Identifiers:
SMILES:
CC(C(=O)O)c1ccc(O)cc1
InChI:
InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)
Key Properties
Melting Point
127-127.5 °C
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 | 166.18 g/mol | CAS Common Chemistry |
| 166.176 g/mol | RDKit | |
| 166.06299418 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(C1=CC=C(O)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=ZHMMPVANGNPCBW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-127.5 °C | CAS Common Chemistry |
| Name | 2-(4-Hydroxyphenyl)propionic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 1.5802999999999998 | RDKit |
| Molar Refractivity | 44.15760000000002 | RDKit |
