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18956-05-3 | Cyclohexanone, 2-(2-cyclohexen-1-yl)-
CAS No: 18956-05-3 Catalog No: AG002DQZ MDL No:
Product Description
Catalog Number:
AG002DQZ
Chemical Name:
Cyclohexanone, 2-(2-cyclohexen-1-yl)-
CAS Number:
18956-05-3
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
2-cyclohex-2-en-1-ylcyclohexan-1-one
InChI:
InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,6,10-11H,1,3-5,7-9H2
InChI Key:
BCDGNHGRYZACTR-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C1CCCC=C1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/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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