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89114-51-2 | 2-Cyclohexen-1-one, 2-ethoxy-3-phenyl-
CAS No: 89114-51-2 Catalog No: AG003YZX MDL No:
Product Description
Catalog Number:
AG003YZX
Chemical Name:
2-Cyclohexen-1-one, 2-ethoxy-3-phenyl-
CAS Number:
89114-51-2
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
2-ethoxy-3-phenylcyclohex-2-en-1-one
InChI:
InChI=1S/C14H16O2/c1-2-16-14-12(9-6-10-13(14)15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChI Key:
PFNAOFVMQDTCOZ-UHFFFAOYSA-N
SMILES:
CCOC1=C(CCCC1=O)c1ccccc1
Properties
Complexity:
285
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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