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150131-74-1 | Butanoic acid, 2-chloro-3-hydroxy-, ethyl ester, (2S,3R)-
CAS No: 150131-74-1 Catalog No: AG001MCE MDL No:
Product Description
Catalog Number:
AG001MCE
Chemical Name:
Butanoic acid, 2-chloro-3-hydroxy-, ethyl ester, (2S,3R)-
CAS Number:
150131-74-1
Molecular Formula:
C6H11ClO3
Molecular Weight:
166.6027
IUPAC Name:
ethyl (2S,3R)-2-chloro-3-hydroxybutanoate
InChI:
InChI=1S/C6H11ClO3/c1-3-10-6(9)5(7)4(2)8/h4-5,8H,3H2,1-2H3/t4-,5+/m1/s1
InChI Key:
XWWGVYVLALKWDS-UHNVWZDZSA-N
SMILES:
CCOC(=O)[C@H]([C@H](O)C)Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
166.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.601g/mol
Monoisotopic Mass:
166.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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