Back to Search
(±)-O-Tyrosine
CAS: 2370-61-8 | C9H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2370-61-8
Molecular Formula:
C9H11NO3
Molecular Mass:
181.19 g/mol
Names and Synonyms:
(±)-O-Tyrosine
Phenylalanine, 2-hydroxy-
o-Tyrosine, DL-
DL-Phenylalanine, 2-hydroxy-
2-Hydroxyphenylalanine
o-DL-Tyrosine
DL-2-Hydroxyphenylalanine
o-Tyrosine
DL-o-Tyrosine
(±)-o-Tyrosine
Ortho-tyrosine
2-Azaniumyl-3-(2-hydroxyphenyl)propanoate
2-Amino-3-(2-hydroxyphenyl)propanoic acid
NSC 72345
Identifiers:
SMILES:
NC(Cc1ccccc1O)C(=O)O
InChI:
InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)
Key Properties
Melting Point
247-250 °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 | 181.19 g/mol | CAS Common Chemistry |
| 181.19099999999997 g/mol | RDKit | |
| 181.073893212 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC=1C=CC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=WRFPVMFCRNYQNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 247-250 °C (decomp) | CAS Common Chemistry |
| Name | (±)-o-Tyrosine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.55 Ų | RDKit |
| LogP | 0.3466 | RDKit |
| Molar Refractivity | 47.42200000000002 | RDKit |
