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89457-31-8 | Heptanoic acid, 3-hydroxybutyl ester
CAS No: 89457-31-8 Catalog No: AG0042FR MDL No:
Product Description
Catalog Number:
AG0042FR
Chemical Name:
Heptanoic acid, 3-hydroxybutyl ester
CAS Number:
89457-31-8
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
3-hydroxybutyl heptanoate
InChI:
InChI=1S/C11H22O3/c1-3-4-5-6-7-11(13)14-9-8-10(2)12/h10,12H,3-9H2,1-2H3
InChI Key:
GPKICUCARRPQTM-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)OCCC(O)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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