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132513-53-2 | Hexanoic acid, 2-hydroxy-, butyl ester, (2S)-
CAS No: 132513-53-2 Catalog No: AG0010S0 MDL No:
Product Description
Catalog Number:
AG0010S0
Chemical Name:
Hexanoic acid, 2-hydroxy-, butyl ester, (2S)-
CAS Number:
132513-53-2
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
butyl 2-hydroxyhexanoate
InChI:
InChI=1S/C10H20O3/c1-3-5-7-9(11)10(12)13-8-6-4-2/h9,11H,3-8H2,1-2H3
InChI Key:
OCRIHSDKXZMSOY-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)[C@H](CCCC)O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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