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80826-82-0 | 2,5-Cyclohexadien-1-one, 4-(diphenylmethylene)-3-methyl-
CAS No: 80826-82-0 Catalog No: AG005IOZ MDL No:
Product Description
Catalog Number:
AG005IOZ
Chemical Name:
2,5-Cyclohexadien-1-one, 4-(diphenylmethylene)-3-methyl-
CAS Number:
80826-82-0
Molecular Formula:
C20H16O
Molecular Weight:
272.3404
IUPAC Name:
4-benzhydrylidene-3-methylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C20H16O/c1-15-14-18(21)12-13-19(15)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChI Key:
DHIKVDYZIQJDDH-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=C(c2ccccc2)c2ccccc2)C(=C1)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.347g/mol
Monoisotopic Mass:
272.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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