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16076-64-5 | Cyclohexanepentanoic acid, methyl ester
CAS No: 16076-64-5 Catalog No: AG001VBN MDL No:
Product Description
Catalog Number:
AG001VBN
Chemical Name:
Cyclohexanepentanoic acid, methyl ester
CAS Number:
16076-64-5
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
methyl 5-cyclohexylpentanoate
InChI:
InChI=1S/C12H22O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h11H,2-10H2,1H3
InChI Key:
RFNUAMVXIPVDLI-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC1CCCCC1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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