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113660-62-1 | 2-Cyclohexen-1-one, 2-methoxy-4-methyl-4-phenyl-
CAS No: 113660-62-1 Catalog No: AG00098V MDL No:
Product Description
Catalog Number:
AG00098V
Chemical Name:
2-Cyclohexen-1-one, 2-methoxy-4-methyl-4-phenyl-
CAS Number:
113660-62-1
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
2-methoxy-4-methyl-4-phenylcyclohex-2-en-1-one
InChI:
InChI=1S/C14H16O2/c1-14(11-6-4-3-5-7-11)9-8-12(15)13(10-14)16-2/h3-7,10H,8-9H2,1-2H3
InChI Key:
JGZNQPFUEQYNKT-UHFFFAOYSA-N
SMILES:
COC1=CC(C)(CCC1=O)c1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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