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4906-22-3 | 3,3'5,5'-Tetramethyl-4,4'-diphenoquinone
CAS No: 4906-22-3 Catalog No: AG0033HG MDL No:
Product Description
Catalog Number:
AG0033HG
Chemical Name:
3,3'5,5'-Tetramethyl-4,4'-diphenoquinone
CAS Number:
4906-22-3
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C16H16O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8H,1-4H3
InChI Key:
QDRFIDSUGRGGAY-UHFFFAOYSA-N
SMILES:
CC1=C/C(=C/2\C=C(C)C(=O)C(=C2)C)/C=C(C1=O)C
EC Number:
225-535-9
NSC Number:
93973
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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