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39207-65-3 | 2-Isobutyrylcyclohexanone
CAS No: 39207-65-3 Catalog No: AG0033DB MDL No:MFCD00466185
Product Description
Catalog Number:
AG0033DB
Chemical Name:
2-Isobutyrylcyclohexanone
CAS Number:
39207-65-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD00466185
IUPAC Name:
2-(2-methylpropanoyl)cyclohexan-1-one
InChI:
InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
InChI Key:
PFOYYSGBGILOQZ-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C(=O)C(C)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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