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88216-34-6 | Benzenamine, 4,4'-methylenebis-, (2Z)-2-butenedioate
CAS No: 88216-34-6 Catalog No: AG004BEU MDL No:
Product Description
Catalog Number:
AG004BEU
Chemical Name:
Benzenamine, 4,4'-methylenebis-, (2Z)-2-butenedioate
CAS Number:
88216-34-6
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
IUPAC Name:
4-[(4-aminophenyl)methyl]aniline;but-2-enedioic acid
InChI:
InChI=1S/C13H14N2.C4H4O4/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;5-3(6)1-2-4(7)8/h1-8H,9,14-15H2;1-2H,(H,5,6)(H,7,8)
InChI Key:
INEVNMWGTPTNBT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1ccc(cc1)N.OC(=O)/C=C\C(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
314.341g/mol
Monoisotopic Mass:
314.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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