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259816-04-1 | Benzene, 1,1'-[2-(cyclopentadienyl)-1-butenylidene]bis[4-methoxy- (9CI)
CAS No: 259816-04-1 Catalog No: AG002RAB MDL No:
Product Description
Catalog Number:
AG002RAB
Chemical Name:
Benzene, 1,1'-[2-(cyclopentadienyl)-1-butenylidene]bis[4-methoxy- (9CI)
CAS Number:
259816-04-1
Molecular Formula:
C23H24O2
Molecular Weight:
332.4355
IUPAC Name:
1-[2-cyclopenta-1,3-dien-1-yl-1-(4-methoxyphenyl)but-1-enyl]-4-methoxybenzene
InChI:
InChI=1S/C23H24O2/c1-4-22(17-7-5-6-8-17)23(18-9-13-20(24-2)14-10-18)19-11-15-21(25-3)16-12-19/h5-7,9-16H,4,8H2,1-3H3
InChI Key:
QMSJUFHDJINTAX-UHFFFAOYSA-N
SMILES:
CCC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)C1C=CC=C1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.443g/mol
Monoisotopic Mass:
332.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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