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13135-13-2 | 2,5-Cyclohexadien-1-one, 4-(diphenylmethylene)-2,6-dimethyl-
CAS No: 13135-13-2 Catalog No: AG000VZ7 MDL No:
Product Description
Catalog Number:
AG000VZ7
Chemical Name:
2,5-Cyclohexadien-1-one, 4-(diphenylmethylene)-2,6-dimethyl-
CAS Number:
13135-13-2
Molecular Formula:
C21H18O
Molecular Weight:
286.3670
IUPAC Name:
4-benzhydrylidene-2,6-dimethylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C21H18O/c1-15-13-19(14-16(2)21(15)22)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3
InChI Key:
AKCSOQPHQQYMOS-UHFFFAOYSA-N
SMILES:
CC1=CC(=C(c2ccccc2)c2ccccc2)C=C(C1=O)C
NSC Number:
155488
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.374g/mol
Monoisotopic Mass:
286.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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