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113694-65-8 | 2-Cyclohexen-1-one, 5-methyl-2-(1-methylethenyl)-
CAS No: 113694-65-8 Catalog No: AG0009CF MDL No:
Product Description
Catalog Number:
AG0009CF
Chemical Name:
2-Cyclohexen-1-one, 5-methyl-2-(1-methylethenyl)-
CAS Number:
113694-65-8
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
5-methyl-2-prop-1-en-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h5,8H,1,4,6H2,2-3H3
InChI Key:
ZJARYUUXFUVNRC-UHFFFAOYSA-N
SMILES:
CC1CC=C(C(=O)C1)C(=C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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