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177842-05-6

177842-05-6 | L-Tyrosine, O-2-propenyl-, hydrochloride (9CI)

CAS No: 177842-05-6 Catalog No: AG0025KW MDL No:

Product Description

Catalog Number:
AG0025KW
Chemical Name:
L-Tyrosine, O-2-propenyl-, hydrochloride (9CI)
CAS Number:
177842-05-6
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
IUPAC Name:
(2S)-2-amino-3-(4-prop-2-enoxyphenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO3.ClH/c1-2-7-16-10-5-3-9(4-6-10)8-11(13)12(14)15;/h2-6,11H,1,7-8,13H2,(H,14,15);1H/t11-;/m0./s1
InChI Key:
IZKJWPGPYBVSQU-MERQFXBCSA-N
SMILES:
C=CCOc1ccc(cc1)C[C@@H](C(=O)O)N.Cl

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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