Back to Search
D-P-Hydroxyphenylglycine
CAS: 22818-40-2 | C8H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22818-40-2
Molecular Formula:
C8H9NO3
Molecular Mass:
167.16 g/mol
Names and Synonyms:
D-P-Hydroxyphenylglycine
Benzeneacetic acid, α-amino-4-hydroxy-, (αR)-
Glycine, 2-(p-hydroxyphenyl)-, D-
Benzeneacetic acid, α-amino-4-hydroxy-, (R)-
(αR)-α-Amino-4-hydroxybenzeneacetic acid
D-(-)-2-(4-Hydroxyphenyl)glycine
D-p-Hydroxyphenylglycine
D-(-)-2-(p-Hydroxyphenyl)glycine
D-2-(4-Hydroxyphenyl)glycine
D-(-)-Amino(4-hydroxyphenyl)acetic acid
D-α-Amino-p-hydroxyphenylacetic acid
D-2-Amino-2-(p-hydroxyphenyl)acetic acid
D-(-)-p-Hydroxyphenylglycine
D-(-)-α-Amino-p-hydroxyphenylacetic acid
D-(-)-α-Amino-4-hydroxyphenylacetic acid
D-α-Amino-4-hydroxyphenylacetic acid
D-4-Hydroxyphenylglycine
p-Hydroxy-D-phenylglycine
D-(-)-α-(4-Hydroxyphenyl)glycine
D-α-p-Hydroxyphenylglycine
D-(-)-4-Hydroxyphenylglycine
(R)-(4-Hydroxyphenyl)glycine
(R)-2-(4-Hydroxyphenyl)glycine
p-Hydroxy-(R)-phenylglycine
4-Hydroxy-D-phenylglycine
(R)-2-Amino-2-(4-hydroxyphenyl)acetic acid
(2R)-2-Amino-2-(4-hydroxyphenyl)acetic acid
(2R)-2-Azaniumyl-2-(4-hydroxyphenyl)acetate
Identifiers:
SMILES:
N[C@@H](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)/t7-/m1/s1
Key Properties
Melting Point
223 °C (decomp)
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)/t7-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LJCWONGJFPCTTL-SSDOTTSWSA-N | CAS Common Chemistry |
| Melting Point | 223 °C (decomp) | CAS Common Chemistry |
| Name | D-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 |
