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77435-24-6 | 2-Butenedioic acid, 2-(1,2-diphenylhydrazino)-, dimethyl ester
CAS No: 77435-24-6 Catalog No: AG005LLS MDL No:
Product Description
Catalog Number:
AG005LLS
Chemical Name:
2-Butenedioic acid, 2-(1,2-diphenylhydrazino)-, dimethyl ester
CAS Number:
77435-24-6
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
dimethyl 2-(N-anilinoanilino)but-2-enedioate
InChI:
InChI=1S/C18H18N2O4/c1-23-17(21)13-16(18(22)24-2)20(15-11-7-4-8-12-15)19-14-9-5-3-6-10-14/h3-13,19H,1-2H3
InChI Key:
UYNYFLXAYVDCJJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CC(=O)OC)N(c1ccccc1)Nc1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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