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14580-53-1 | Cyclohexanone, 2-acetyl-3-methyl-
CAS No: 14580-53-1 Catalog No: AG001DF6 MDL No:
Product Description
Catalog Number:
AG001DF6
Chemical Name:
Cyclohexanone, 2-acetyl-3-methyl-
CAS Number:
14580-53-1
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
2-acetyl-3-methylcyclohexan-1-one
InChI:
InChI=1S/C9H14O2/c1-6-4-3-5-8(11)9(6)7(2)10/h6,9H,3-5H2,1-2H3
InChI Key:
HNEWIZODWMVGNN-UHFFFAOYSA-N
SMILES:
CC1CCCC(=O)C1C(=O)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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