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Glycin
CAS: 122-87-2 | C8H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-87-2
Molecular Formula:
C8H9NO3
Molecular Mass:
167.16 g/mol
Names and Synonyms:
Glycin
Glycine, N-(4-hydroxyphenyl)-
Glycine, N-(p-hydroxyphenyl)-
N-(4-Hydroxyphenyl)glycine
p-Hydroxyanilinoacetic acid
p-Hydroxyphenylaminoacetic acid
N-(p-Hydroxyphenyl)glycine
Iconyl
Monazol
Photoglycine
p-Hydroxyphenylglycine
4-(Carboxymethylamino)phenol
NSC 9267
2-[(4-Hydroxyphenyl)amino]acetic acid
2-(4-Hydroxyanilino)acetic acid
Identifiers:
SMILES:
O=C(O)CNc1ccc(O)cc1
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)
Key Properties
Melting Point
246 °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 | |
| 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 |
| Glycin | 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 | RDKit |
