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Molecule
Dl-Tyrosine
CAS: 556-03-6 · C9H11NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 556-03-6
- Molecular Formula
- C9H11NO3
- Molecular Mass
- 181.19 g/mol
Identifiers
CAS Registry Number
556-03-6
SMILES
NC(Cc1ccc(O)cc1)C(=O)O
InChI Key
OUYCCCASQSFEME-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
Names and Synonyms
- Dl-Tyrosine Common Name
- Tyrosine Synonym
- Tyrosine, DL- Synonym
- DL-Tyrosine Synonym
- (±)-Tyrosine Synonym
- DL-p-Tyrosine Synonym
- NSC 205006 Synonym
- 2-Amino-3-(4-hydroxyphenyl)propanoic acid Synonym
- D,L-Tyrosine Synonym
- DL-4-Hydroxyphenylalanine Synonym
- α-Amino-4-hydroxybenzenepropanoic acid Synonym
- 2-Azaniumyl-3-(4-hydroxyphenyl)propanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.19 g/mol | CAS Common Chemistry |
| 181.19099999999997 g/mol | RDKit | |
| 181.191 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=OUYCCCASQSFEME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 325 °C (decomp) | CAS Common Chemistry |
| Name | DL-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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 181.073893212 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 = 181.19 g/mol. Edit any field — others recompute live.
Related
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