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119-60-8 | Methanone, dicyclohexyl-
CAS No: 119-60-8 Catalog No: AG000P03 MDL No:MFCD00040417
Product Description
Catalog Number:
AG000P03
Chemical Name:
Methanone, dicyclohexyl-
CAS Number:
119-60-8
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
MDL Number:
MFCD00040417
IUPAC Name:
dicyclohexylmethanone
InChI:
InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChI Key:
TWXWPPKDQOWNSX-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)C1CCCCC1
EC Number:
204-336-0
UNII:
4JW244G15F
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Cyclohexyl ketone inhibitors of Pin1 dock in a trans-diaxial cyclohexane conformation. | PloS one 20120101 |
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