2-Cyclohexen-1-one, 3-phenyl-


Chemical Name: 2-Cyclohexen-1-one, 3-phenyl-
CAS Number: 10345-87-6
Product Number: AG00925Q(AGN-PC-0JLTYW)
Synonyms:
MDL No:
Molecular Formula: C12H12O
Molecular Weight: 172.2231

Identification/Properties


Computed Properties
Molecular Weight:
172.227g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
172.089g/mol
Monoisotopic Mass:
172.089g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
221
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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