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14164-67-1 | 1,4-Pentadien-3-one, 2-methyl-1,5-diphenyl-
CAS No: 14164-67-1 Catalog No: AG001GRZ MDL No:
Product Description
Catalog Number:
AG001GRZ
Chemical Name:
1,4-Pentadien-3-one, 2-methyl-1,5-diphenyl-
CAS Number:
14164-67-1
Molecular Formula:
C18H16O
Molecular Weight:
248.3190
IUPAC Name:
2-methyl-1,5-diphenylpenta-1,4-dien-3-one
InChI:
InChI=1S/C18H16O/c1-15(14-17-10-6-3-7-11-17)18(19)13-12-16-8-4-2-5-9-16/h2-14H,1H3
InChI Key:
VZXBHDUKADILLK-UHFFFAOYSA-N
SMILES:
CC(=Cc1ccccc1)C(=O)C=Cc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.12g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.325g/mol
Monoisotopic Mass:
248.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.5
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