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1444-65-1 | Cyclohexanone, 2-phenyl-
CAS No: 1444-65-1 Catalog No: AG001JGR MDL No:MFCD00001629
Product Description
Catalog Number:
AG001JGR
Chemical Name:
Cyclohexanone, 2-phenyl-
CAS Number:
1444-65-1
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD00001629
IUPAC Name:
2-phenylcyclohexan-1-one
InChI:
InChI=1S/C12H14O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChI Key:
DRLVMOAWNVOSPE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1ccccc1
EC Number:
215-888-7
NSC Number:
22252
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Towards practical biocatalytic Baeyer-Villiger reactions: applying a thermostable enzyme in the gram-scale synthesis of optically-active lactones in a two-liquid-phase system. | Beilstein journal of organic chemistry 20050101 |
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