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132513-51-0 | Butanoic acid, 2-hydroxy-, butyl ester, (2S)-
CAS No: 132513-51-0 Catalog No: AG0010S1 MDL No:MFCD08702976
Product Description
Catalog Number:
AG0010S1
Chemical Name:
Butanoic acid, 2-hydroxy-, butyl ester, (2S)-
CAS Number:
132513-51-0
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
MDL Number:
MFCD08702976
IUPAC Name:
butyl (2S)-2-hydroxybutanoate
InChI:
InChI=1S/C8H16O3/c1-3-5-6-11-8(10)7(9)4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChI Key:
YFFBWGUXPFAXRS-ZETCQYMHSA-N
SMILES:
CCCCOC(=O)[C@H](CC)O
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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