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114391-96-7 | Benzene, 1,1',1''-(4-ethyl-1,3-butadiene-1,2,4-triyl)tris- (9CI)
CAS No: 114391-96-7 Catalog No: AG000B8H MDL No:
Product Description
Catalog Number:
AG000B8H
Chemical Name:
Benzene, 1,1',1''-(4-ethyl-1,3-butadiene-1,2,4-triyl)tris- (9CI)
CAS Number:
114391-96-7
Molecular Formula:
C24H22
Molecular Weight:
310.4315
IUPAC Name:
1,4-diphenylhexa-1,3-dien-2-ylbenzene
InChI:
InChI=1S/C24H22/c1-2-21(22-14-8-4-9-15-22)19-24(23-16-10-5-11-17-23)18-20-12-6-3-7-13-20/h3-19H,2H2,1H3
InChI Key:
QEEGVLGTBCQRQS-UHFFFAOYSA-N
SMILES:
CCC(=CC(=Cc1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.172g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.44g/mol
Monoisotopic Mass:
310.172g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.8
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