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72055-87-9 | 2-Cyclohexen-1-one, 3-(1,5-dimethyl-4-hexenyl)-
CAS No: 72055-87-9 Catalog No: AG005DBF MDL No:
Product Description
Catalog Number:
AG005DBF
Chemical Name:
2-Cyclohexen-1-one, 3-(1,5-dimethyl-4-hexenyl)-
CAS Number:
72055-87-9
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
3-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C14H22O/c1-11(2)6-4-7-12(3)13-8-5-9-14(15)10-13/h6,10,12H,4-5,7-9H2,1-3H3
InChI Key:
JGLOZOHXXAAUSO-UHFFFAOYSA-N
SMILES:
CC(C1=CC(=O)CCC1)CCC=C(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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