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1502-22-3 | Cyclohexanone, 2-(1-cyclohexen-1-yl)-
CAS No: 1502-22-3 Catalog No: AG001MEX MDL No:MFCD00013796
Product Description
Catalog Number:
AG001MEX
Chemical Name:
Cyclohexanone, 2-(1-cyclohexen-1-yl)-
CAS Number:
1502-22-3
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD00013796
IUPAC Name:
2-(cyclohexen-1-yl)cyclohexan-1-one
InChI:
InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2
InChI Key:
GVNVAWHJIKLAGL-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C1=CCCCC1
EC Number:
216-120-3
NSC Number:
518776
Properties
Complexity:
227
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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