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126254-47-5 | 2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-
CAS No: 126254-47-5 Catalog No: AG000SFO MDL No:
Product Description
Catalog Number:
AG000SFO
Chemical Name:
2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-
CAS Number:
126254-47-5
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C11H16O/c1-7(2)10-6-5-8(3)11(12)9(10)4/h5,9-10H,1,6H2,2-4H3
InChI Key:
HDVXRNIZHQRLBD-UHFFFAOYSA-N
SMILES:
CC(=C)C1CC=C(C(=O)C1C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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