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129073-62-7 | Benzoic acid, 4-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-, methyl ester
CAS No: 129073-62-7 Catalog No: AG000YTE MDL No:
Product Description
Catalog Number:
AG000YTE
Chemical Name:
Benzoic acid, 4-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-, methyl ester
CAS Number:
129073-62-7
Molecular Formula:
C24H20O2
Molecular Weight:
340.4144
IUPAC Name:
methyl 4-[2-[4-(2-phenylethenyl)phenyl]ethenyl]benzoate
InChI:
InChI=1S/C24H20O2/c1-26-24(25)23-17-15-22(16-18-23)14-13-21-11-9-20(10-12-21)8-7-19-5-3-2-4-6-19/h2-18H,1H3
InChI Key:
JMYCXFIQYLXEGI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C=Cc1ccc(cc1)C=Cc1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.146g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.422g/mol
Monoisotopic Mass:
340.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.9
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