Back to Search
Molecule
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
Identifiers
CAS Registry Number
938-97-6
SMILES
NC(C(=O)O)c1ccc(O)cc1
InChI Key
LJCWONGJFPCTTL-UHFFFAOYSA-N
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)
Names and Synonyms
- Dl-P-Hydroxyphenylglycine Synonym
- Benzeneacetic acid, α-amino-4-hydroxy- Synonym
- Glycine, 2-(p-hydroxyphenyl)- Synonym
- α-Amino-4-hydroxybenzeneacetic acid Synonym
- (4-Hydroxyphenyl)glycine Synonym
- α-(4-Hydroxyphenyl)glycine Synonym
- α-(p-Hydroxyphenyl)glycine Synonym
- α-Amino-p-hydroxyphenylacetic acid Synonym
- 2-(4-Hydroxyphenyl)glycine Synonym
- DL-2-(p-Hydroxyphenyl)glycine Synonym
- (±)-α-Amino-4-hydroxybenzeneacetic acid Synonym
- DL-2-(4-Hydroxyphenyl)glycine Synonym
- DL-p-Hydroxyphenylglycine Synonym
- (±)-2-(4-Hydroxyphenyl)glycine Synonym
- (±)-Amino(p-hydroxyphenyl)acetic acid Synonym
- DL-α-Amino(4-hydroxyphenyl)acetic acid Synonym
- (±)-p-Hydroxyphenylglycine Synonym
- DL-4-Hydroxyphenylglycine Synonym
- (RS)-2-(4-Hydroxyphenyl)glycine Synonym
- (±)-2-(p-Hydroxyphenyl)glycine Synonym
- p-Hydroxyphenylglycine Synonym
- NSC 30081 Synonym
- α-Amino-4-hydroxyphenylacetic acid Synonym
- 2-Amino-2-(4-hydroxyphenyl)aceticacid Synonym
- 2-Amino-2-(4-hydroxyphenyl)acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.16 g/mol | CAS Common Chemistry |
| 167.164 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 |
| 83.55 Ų | RDKit | |
| LogP | 0.4766 | RDKit |
| 0.52 | chempirical lib | |
| Molar Refractivity | 42.671000000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 167.058243148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 167.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO3.
