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144425-98-9 | 2,4-Pentadien-1-one, 5-(4-hydroxy-3-methoxyphenyl)-1-phenyl-
CAS No: 144425-98-9 Catalog No: AG001JIM MDL No:
Product Description
Catalog Number:
AG001JIM
Chemical Name:
2,4-Pentadien-1-one, 5-(4-hydroxy-3-methoxyphenyl)-1-phenyl-
CAS Number:
144425-98-9
Molecular Formula:
C18H16O3
Molecular Weight:
280.3178
IUPAC Name:
5-(4-hydroxy-3-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
InChI:
InChI=1S/C18H16O3/c1-21-18-13-14(11-12-17(18)20)7-5-6-10-16(19)15-8-3-2-4-9-15/h2-13,20H,1H3
InChI Key:
XYMMFCVUZSOXFK-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC=CC(=O)c2ccccc2)ccc1O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.323g/mol
Monoisotopic Mass:
280.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4
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