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4-Hydroxyphenylacetic Acid
CAS: 156-38-7 | C8H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
156-38-7
Molecular Formula:
C8H8O3
Molecular Mass:
152.15 g/mol
Names and Synonyms:
4-Hydroxyphenylacetic Acid
Benzeneacetic acid, 4-hydroxy-
Acetic acid, (p-hydroxyphenyl)-
4-Hydroxybenzeneacetic acid
(4-Hydroxyphenyl)acetic acid
Hydroxyphenylacetic acid
4-(Carboxymethyl)phenol
(p-Hydroxyphenyl)acetic acid
NSC 25066
NSC 27460
2-[4-(Hydroxy)phenyl]acetic acid
p-Hydroxybenzeneacetic acid
2-(4′-Hydroxyphenyl)acetic acid
4′-Hydroxyphenylacetic acid
Identifiers:
SMILES:
O=C(O)Cc1ccc(O)cc1
InChI:
InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Key Properties
Boiling Point
120-130 °C @ Press: 0.01 Torr
CAS Common Chemistry
Melting Point
152 °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 | 152.15 g/mol | CAS Common Chemistry |
| 152.149 g/mol | RDKit | |
| 152.047344116 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Hydroxyphenylacetic_acid | CAS Common Chemistry |
| Boiling Point | 120-130 °C @ Press: 0.01 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=XQXPVVBIMDBYFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | Hydroxyphenylacetic acid | CAS Common Chemistry |
| 4-Hydroxyphenylacetic acid | CAS Common Chemistry | |
| Heavy Atom Count | 11 | 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 | 1.0192999999999999 | RDKit |
| Molar Refractivity | 39.44660000000002 | RDKit |
