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125639-64-7 | Benzenebutanoic acid, α-hydroxy-, ethyl ester, (αS)-
CAS No: 125639-64-7 Catalog No: AG000O8O MDL No:MFCD03095465
Product Description
Catalog Number:
AG000O8O
Chemical Name:
Benzenebutanoic acid, α-hydroxy-, ethyl ester, (αS)-
CAS Number:
125639-64-7
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD03095465
IUPAC Name:
ethyl (2S)-2-hydroxy-4-phenylbutanoate
InChI:
InChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/t11-/m0/s1
InChI Key:
ZJYKSSGYDPNKQS-NSHDSACASA-N
SMILES:
CCOC(=O)[C@H](CCc1ccccc1)O
UNII:
2828BZ7CJW
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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