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Molecule
Glycin
CAS: 122-87-2 · C8H9NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 122-87-2
- Molecular Formula
- C8H9NO3
- Molecular Mass
- 167.16 g/mol
Identifiers
CAS Registry Number
122-87-2
SMILES
O=C(O)CNc1ccc(O)cc1
InChI Key
WRUZLCLJULHLEY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c10-7-3-1-6(2-4-7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12)
Names and Synonyms
- Glycin Synonym
- Glycine, N-(4-hydroxyphenyl)- Synonym
- Glycine, N-(p-hydroxyphenyl)- Synonym
- N-(4-Hydroxyphenyl)glycine Synonym
- p-Hydroxyanilinoacetic acid Synonym
- p-Hydroxyphenylaminoacetic acid Synonym
- N-(p-Hydroxyphenyl)glycine Synonym
- Iconyl Synonym
- Monazol Synonym
- Photoglycine Synonym
- p-Hydroxyphenylglycine Synonym
- 4-(Carboxymethylamino)phenol Synonym
- NSC 9267 Synonym
- 2-[(4-Hydroxyphenyl)amino]acetic acid Synonym
- 2-(4-Hydroxyanilino)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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glycin | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CNC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO3/c10-7-3-1-6(2-4-7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=WRUZLCLJULHLEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 246 °C (decomp) | CAS Common Chemistry |
| Name | p-Hydroxyphenylglycine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.56 Ų | RDKit |
| LogP | 0.8887 | RDKit |
| Molar Refractivity | 44.232300000000016 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
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 167.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO3.
