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(±)-3-(4-Hydroxyphenyl)Lactic Acid
CAS: 306-23-0 | C9H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
306-23-0
Molecular Formula:
C9H10O4
Molecular Mass:
182.18 g/mol
Names and Synonyms:
(±)-3-(4-Hydroxyphenyl)Lactic Acid
Benzenepropanoic acid, α,4-dihydroxy-
Lactic acid, 3-(p-hydroxyphenyl)-
α,4-Dihydroxybenzenepropanoic acid
β-(p-Hydroxyphenyl)lactic acid
3-(4-Hydroxyphenyl)lactic acid
2-Hydroxy-3-(p-hydroxyphenyl)propionic acid
β-(4-Hydroxyphenyl)lactic acid
HPLA
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid
β-(p-Hydroxyphenyl)-DL-lactic acid
DL-p-Hydroxyphenyllactic acid
DL-3-(4-Hydroxyphenyl)lactic acid
3-(4-Hydroxyphenyl)-DL-lactic acid
(±)-3-(4-Hydroxyphenyl)lactic acid
(RS)-3-(4-Hydroxyphenyl)lactic acid
NSC 111175
p-Hydroxy-dl-phenyllactic acid
Identifiers:
SMILES:
O=C(O)C(O)Cc1ccc(O)cc1
InChI:
InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
Key Properties
Melting Point
140 °C @ Solvent: Water
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 | 182.18 g/mol | CAS Common Chemistry |
| 182.175 g/mol | RDKit | |
| 182.05790879999998 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=JVGVDSSUAVXRDY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140 °C @ Solvent: Water | CAS Common Chemistry |
| Name | (±)-3-(4-Hydroxyphenyl)lactic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | 0.38020000000000015 | RDKit |
| Molar Refractivity | 45.45340000000002 | RDKit |
