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81842-24-2 | 2-Cyclohexen-1-one, 4-(phenylmethyl)-
CAS No: 81842-24-2 Catalog No: AG00567Q MDL No:
Product Description
Catalog Number:
AG00567Q
Chemical Name:
2-Cyclohexen-1-one, 4-(phenylmethyl)-
CAS Number:
81842-24-2
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
4-benzylcyclohex-2-en-1-one
InChI:
InChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2
InChI Key:
CMBMYOXQJBCPFT-UHFFFAOYSA-N
SMILES:
O=C1CCC(C=C1)Cc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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