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13161-99-4

13161-99-4 | 2-Butenoic acid, 4,4'-(1,3-phenylenediimino)bis[4-oxo-, (2Z,2'Z)-

CAS No: 13161-99-4 Catalog No: AG000ZI9 MDL No:MFCD00020468

Product Description

Catalog Number:
AG000ZI9
Chemical Name:
2-Butenoic acid, 4,4'-(1,3-phenylenediimino)bis[4-oxo-, (2Z,2'Z)-
CAS Number:
13161-99-4
Molecular Formula:
C14H12N2O6
Molecular Weight:
304.2549
MDL Number:
MFCD00020468
IUPAC Name:
(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4-,7-5-
InChI Key:
SKDIMRRKRVTENP-PEPZGXQESA-N
SMILES:
O=C(Nc1cccc(c1)NC(=O)/C=C\C(=O)O)/C=C\C(=O)O
EC Number:
236-101-3

Properties

Complexity:
468  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
304.07g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
304.258g/mol
Monoisotopic Mass:
304.07g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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