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13265-01-5 | Tyrosine, α,3-dimethyl-, methyl ester, hydrochloride (7CI,8CI,9CI)
CAS No: 13265-01-5 Catalog No: AG002N00 MDL No:
Product Description
Catalog Number:
AG002N00
Chemical Name:
Tyrosine, α,3-dimethyl-, methyl ester, hydrochloride (7CI,8CI,9CI)
CAS Number:
13265-01-5
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
IUPAC Name:
methyl (2S)-2-amino-3-(4-hydroxy-3-methylphenyl)-2-methylpropanoate;hydrochloride
InChI:
InChI=1S/C12H17NO3.ClH/c1-8-6-9(4-5-10(8)14)7-12(2,13)11(15)16-3;/h4-6,14H,7,13H2,1-3H3;1H/t12-;/m0./s1
InChI Key:
ZWBVPAVQVBYURF-YDALLXLXSA-N
SMILES:
COC(=O)[C@](Cc1ccc(c(c1)C)O)(N)C.Cl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.73g/mol
Monoisotopic Mass:
259.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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