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1011-12-7 | Cyclohexanone, 2-cyclohexylidene-
CAS No: 1011-12-7 Catalog No: AG0003R5 MDL No:MFCD19443386
Product Description
Catalog Number:
AG0003R5
Chemical Name:
Cyclohexanone, 2-cyclohexylidene-
CAS Number:
1011-12-7
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD19443386
IUPAC Name:
2-cyclohexylidenecyclohexan-1-one
InChI:
InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H2
InChI Key:
TYDSIOSLHQWFOU-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1=C1CCCCC1
EC Number:
213-779-9
UNII:
G1VAK47QOV
NSC Number:
61652
Properties
Complexity:
230
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:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 1'-Ethyl-sulfanyl-1,1'-bicyclo-hexyl-2-one. | Acta crystallographica. Section E, Structure reports online 20100401 |
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