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Dl-P-Hydroxyphenylglycine
CAS: 938-97-6 | C8H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
938-97-6
Molecular Formula:
C8H9NO3
Molecular Mass:
167.16 g/mol
Names and Synonyms:
Dl-P-Hydroxyphenylglycine
Benzeneacetic acid, α-amino-4-hydroxy-
Glycine, 2-(p-hydroxyphenyl)-
α-Amino-4-hydroxybenzeneacetic acid
(4-Hydroxyphenyl)glycine
α-(4-Hydroxyphenyl)glycine
α-(p-Hydroxyphenyl)glycine
α-Amino-p-hydroxyphenylacetic acid
2-(4-Hydroxyphenyl)glycine
DL-2-(p-Hydroxyphenyl)glycine
(±)-α-Amino-4-hydroxybenzeneacetic acid
DL-2-(4-Hydroxyphenyl)glycine
DL-p-Hydroxyphenylglycine
(±)-2-(4-Hydroxyphenyl)glycine
(±)-Amino(p-hydroxyphenyl)acetic acid
DL-α-Amino(4-hydroxyphenyl)acetic acid
(±)-p-Hydroxyphenylglycine
DL-4-Hydroxyphenylglycine
(RS)-2-(4-Hydroxyphenyl)glycine
(±)-2-(p-Hydroxyphenyl)glycine
p-Hydroxyphenylglycine
NSC 30081
α-Amino-4-hydroxyphenylacetic acid
2-Amino-2-(4-hydroxyphenyl)aceticacid
2-Amino-2-(4-hydroxyphenyl)acetic acid
Identifiers:
SMILES:
NC(C(=O)O)c1ccc(O)cc1
InChI:
InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)
Key Properties
Melting Point
229-230 °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 | 167.16 g/mol | CAS Common Chemistry |
| 167.164 g/mol | RDKit | |
| 167.058243148 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)C1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=LJCWONGJFPCTTL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 229-230 °C | CAS Common Chemistry |
| Name | DL-p-Hydroxyphenylglycine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.55000000000001 Ų | RDKit |
| LogP | 0.4766 | RDKit |
| Molar Refractivity | 42.671000000000014 | RDKit |
