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122127-44-0 | Benzene, 1,1'-[(4,4-dimethoxy-2,5-cyclohexadien-1-ylidene)ethenylidene]bis- (9CI)
CAS No: 122127-44-0 Catalog No: AG0016TP MDL No:
Product Description
Catalog Number:
AG0016TP
Chemical Name:
Benzene, 1,1'-[(4,4-dimethoxy-2,5-cyclohexadien-1-ylidene)ethenylidene]bis- (9CI)
CAS Number:
122127-44-0
Molecular Formula:
C22H20O2
Molecular Weight:
316.3930
IUPAC Name:
3,3-dimethoxy-6-[6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]cyclohexa-1,4-diene
InChI:
InChI=1S/C22H22O2/c1-23-22(24-2)16-14-20(15-17-22)21-11-7-6-10-19(21)13-12-18-8-4-3-5-9-18/h3-17,19H,1-2H3
InChI Key:
CBWNYYYKNGHDDB-UHFFFAOYSA-N
SMILES:
COC1(OC)C=CC(=C=C(c2ccccc2)c2ccccc2)C=C1
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.162g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.416g/mol
Monoisotopic Mass:
318.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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