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16377-51-8 | 2-Butenedioic acid, 2,3-bis(phenylamino)-, dimethyl ester, (2E)- (9CI)
CAS No: 16377-51-8 Catalog No: AG001UE4 MDL No:
Product Description
Catalog Number:
AG001UE4
Chemical Name:
2-Butenedioic acid, 2,3-bis(phenylamino)-, dimethyl ester, (2E)- (9CI)
CAS Number:
16377-51-8
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
dimethyl 2,3-dianilinobut-2-enedioate
InChI:
InChI=1S/C18H18N2O4/c1-23-17(21)15(19-13-9-5-3-6-10-13)16(18(22)24-2)20-14-11-7-4-8-12-14/h3-12,19-20H,1-2H3
InChI Key:
KLPXTHJOAWGMSD-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C(/C(=O)OC)\Nc1ccccc1)/Nc1ccccc1
Properties
Complexity:
422
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:
2
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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