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89504-45-0 | 2,5-Cyclohexadien-1-one, 2-hydroxy-4-(3-phenyl-2-propenylidene)-
CAS No: 89504-45-0 Catalog No: AG0041F6 MDL No:
Product Description
Catalog Number:
AG0041F6
Chemical Name:
2,5-Cyclohexadien-1-one, 2-hydroxy-4-(3-phenyl-2-propenylidene)-
CAS Number:
89504-45-0
Molecular Formula:
C15H12O2
Molecular Weight:
224.2546
IUPAC Name:
4-cinnamylidene-2-hydroxycyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C15H12O2/c16-14-10-9-13(11-15(14)17)8-4-7-12-5-2-1-3-6-12/h1-11,17H
InChI Key:
GXJCMMGEUXGVPN-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=CC=Cc2ccccc2)C=C1O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.259g/mol
Monoisotopic Mass:
224.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.2
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