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100191-02-4 | 2-Butenoic acid, 2-methyl-3,4-diphenyl-, ethyl ester, (E)- (9CI)
CAS No: 100191-02-4 Catalog No: AG00017H MDL No:
Product Description
Catalog Number:
AG00017H
Chemical Name:
2-Butenoic acid, 2-methyl-3,4-diphenyl-, ethyl ester, (E)- (9CI)
CAS Number:
100191-02-4
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
ethyl 2-methyl-3,4-diphenylbut-2-enoate
InChI:
InChI=1S/C19H20O2/c1-3-21-19(20)15(2)18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3
InChI Key:
OQRVGJRQTHOXEA-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(/c1ccccc1)\Cc1ccccc1)/C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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