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87853-05-2 | 1,4-Hexadien-3-one, 5-methyl-1,1-diphenyl-
CAS No: 87853-05-2 Catalog No: AG004EG7 MDL No:
Product Description
Catalog Number:
AG004EG7
Chemical Name:
1,4-Hexadien-3-one, 5-methyl-1,1-diphenyl-
CAS Number:
87853-05-2
Molecular Formula:
C19H18O
Molecular Weight:
262.3456
IUPAC Name:
5-methyl-1,1-diphenylhexa-1,4-dien-3-one
InChI:
InChI=1S/C19H18O/c1-15(2)13-18(20)14-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3
InChI Key:
FBOLYECLZACLDX-UHFFFAOYSA-N
SMILES:
O=C(C=C(C)C)C=C(c1ccccc1)c1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.352g/mol
Monoisotopic Mass:
262.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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