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124649-67-8 | Benzenepropanoic acid, α,β-dihydroxy-, methyl ester, (αS,βR)-
CAS No: 124649-67-8 Catalog No: AG000MIZ MDL No:
Product Description
Catalog Number:
AG000MIZ
Chemical Name:
Benzenepropanoic acid, α,β-dihydroxy-, methyl ester, (αS,βR)-
CAS Number:
124649-67-8
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
methyl (2S,3R)-2,3-dihydroxy-3-phenylpropanoate
InChI:
InChI=1S/C10H12O4/c1-14-10(13)9(12)8(11)7-5-3-2-4-6-7/h2-6,8-9,11-12H,1H3/t8-,9+/m1/s1
InChI Key:
IXDRYSIPXMREGK-BDAKNGLRSA-N
SMILES:
COC(=O)[C@H]([C@@H](c1ccccc1)O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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