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202406-92-6 | Cyclopentaneheptanoic acid, 2-cyano-5-oxo-
CAS No: 202406-92-6 Catalog No: AG00287B MDL No:
Product Description
Catalog Number:
AG00287B
Chemical Name:
Cyclopentaneheptanoic acid, 2-cyano-5-oxo-
CAS Number:
202406-92-6
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
7-(2-cyano-5-oxocyclopentyl)heptanoic acid
InChI:
InChI=1S/C13H19NO3/c14-9-10-7-8-12(15)11(10)5-3-1-2-4-6-13(16)17/h10-11H,1-8H2,(H,16,17)
InChI Key:
FIQRNTLVJROGQW-UHFFFAOYSA-N
SMILES:
N#CC1CCC(=O)C1CCCCCCC(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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