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85148-92-1 | Cyclohexanone, 2,2-dimethyl-6-(2-methylpropylidene)-, (E)-
CAS No: 85148-92-1 Catalog No: AG004QS7 MDL No:
Product Description
Catalog Number:
AG004QS7
Chemical Name:
Cyclohexanone, 2,2-dimethyl-6-(2-methylpropylidene)-, (E)-
CAS Number:
85148-92-1
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
2,2-dimethyl-6-(2-methylpropylidene)cyclohexan-1-one
InChI:
InChI=1S/C12H20O/c1-9(2)8-10-6-5-7-12(3,4)11(10)13/h8-9H,5-7H2,1-4H3
InChI Key:
FAKGMAITDKWQAY-UHFFFAOYSA-N
SMILES:
CC(/C=C/1\CCCC(C1=O)(C)C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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