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2508-79-4 | L-Tyrosine, 3-hydroxy-α-methyl-, ethyl ester, hydrochloride (1:1)
CAS No: 2508-79-4 Catalog No: AG002QFK MDL No:
Product Description
Catalog Number:
AG002QFK
Chemical Name:
L-Tyrosine, 3-hydroxy-α-methyl-, ethyl ester, hydrochloride (1:1)
CAS Number:
2508-79-4
Molecular Formula:
C12H18ClNO4
Molecular Weight:
275.7286
IUPAC Name:
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate;hydrochloride
InChI:
InChI=1S/C12H17NO4.ClH/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8;/h4-6,14-15H,3,7,13H2,1-2H3;1H/t12-;/m0./s1
InChI Key:
QSRVZCCJDKYRRF-YDALLXLXSA-N
SMILES:
CCOC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.Cl
EC Number:
219-720-3
UNII:
7PX435DN5A
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
275.729g/mol
Monoisotopic Mass:
275.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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