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Molecule
L-2-Phenylglycine
CAS: 2935-35-5 · C8H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2935-35-5
- Molecular Formula
- C8H9NO2
- Molecular Mass
- 151.17 g/mol
Identifiers
CAS Registry Number
2935-35-5
SMILES
N[C@H](C(=O)O)c1ccccc1
InChI Key
ZGUNAGUHMKGQNY-ZETCQYMHSA-N
InChI
InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1
Names and Synonyms
- L-2-Phenylglycine Synonym
- L-Phenylglycine Synonym
- Benzeneacetic acid, α-amino-, (αS)- Synonym
- Glycine, 2-phenyl-, L- Synonym
- Benzeneacetic acid, α-amino-, (S)- Synonym
- (αS)-α-Aminobenzeneacetic acid Synonym
- L-Phenylglycine Synonym
- L-(+)-2-Phenylglycine Synonym
- L-α-Phenylglycine Synonym
- L-(+)-α-Aminophenylacetic acid Synonym
- (S)-Phenylglycine Synonym
- (S)-α-Aminobenzeneacetic acid Synonym
- L-(+)-Phenylglycine Synonym
- (S)-(+)-Phenylglycine Synonym
- (+)-Phenylglycine Synonym
- L-α-Aminophenylacetic acid Synonym
- (S)-(+)-2-Phenylglycine Synonym
- S-(+)-α-Phenylglycine Synonym
- (S)-Amino(phenyl)acetic acid Synonym
- NSC 206293 Synonym
- (S)-2-Amino-2-(phenyl)ethanoic acid Synonym
- L(+)-α-Phenylglycine Synonym
- (S)-2-Amino-2-(phenyl)acetic acid Synonym
- (2S)-2-Azaniumyl-2-phenylacetate Synonym
- (2S)-2-Amino-2-phenylacetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.17 g/mol | CAS Common Chemistry |
| 151.165 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZGUNAGUHMKGQNY-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | 225-228 °C | CAS Common Chemistry |
| Name | L-Phenylglycine | 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 | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | 0.7709999999999999 | RDKit |
| 0.771 | RDKit | |
| 0.81 | chempirical lib | |
| Molar Refractivity | 41.00620000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 151.063328528 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
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MW = 151.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO2.
