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306326-46-5 | Butanoic acid, 3-hydroxy-, octyl ester, (3S)-
CAS No: 306326-46-5 Catalog No: AG0030PX MDL No:
Product Description
Catalog Number:
AG0030PX
Chemical Name:
Butanoic acid, 3-hydroxy-, octyl ester, (3S)-
CAS Number:
306326-46-5
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
octyl (3S)-3-hydroxybutanoate
InChI:
InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-15-12(14)10-11(2)13/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChI Key:
OCJMVWOGIMJYNT-NSHDSACASA-N
SMILES:
CCCCCCCCOC(=O)C[C@@H](O)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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