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15999-77-6 | 1,4-Pentadien-3-one, 1-(4-hydroxyphenyl)-5-phenyl-
CAS No: 15999-77-6 Catalog No: AG001RKH MDL No:
Product Description
Catalog Number:
AG001RKH
Chemical Name:
1,4-Pentadien-3-one, 1-(4-hydroxyphenyl)-5-phenyl-
CAS Number:
15999-77-6
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
IUPAC Name:
1-(4-hydroxyphenyl)-5-phenylpenta-1,4-dien-3-one
InChI:
InChI=1S/C17H14O2/c18-16(10-6-14-4-2-1-3-5-14)11-7-15-8-12-17(19)13-9-15/h1-13,19H
InChI Key:
ONVTZYHPCRFMIZ-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccccc1)C=Cc1ccc(cc1)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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