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13747-73-4 | Cyclohexanone, 2-(1-methylethylidene)-
CAS No: 13747-73-4 Catalog No: AG0013CC MDL No:
Product Description
Catalog Number:
AG0013CC
Chemical Name:
Cyclohexanone, 2-(1-methylethylidene)-
CAS Number:
13747-73-4
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
2-propan-2-ylidenecyclohexan-1-one
InChI:
InChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-6H2,1-2H3
InChI Key:
MMTBDIDPDFBJIC-UHFFFAOYSA-N
SMILES:
CC(=C1CCCCC1=O)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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