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20606-25-1 | Cyclohexanehexanoic acid, ε-oxo-
CAS No: 20606-25-1 Catalog No: AG002AIC MDL No:
Product Description
Catalog Number:
AG002AIC
Chemical Name:
Cyclohexanehexanoic acid, ε-oxo-
CAS Number:
20606-25-1
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
6-cyclohexyl-6-oxohexanoic acid
InChI:
InChI=1S/C12H20O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h10H,1-9H2,(H,14,15)
InChI Key:
ITWAGYWPYYIURG-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)CCCCC(=O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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