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88194-06-3 | 1,3-Benzenedicarboxylic acid, 5-(di-2-propenylamino)-
CAS No: 88194-06-3 Catalog No: AG004C5R MDL No:
Product Description
Catalog Number:
AG004C5R
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(di-2-propenylamino)-
CAS Number:
88194-06-3
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
IUPAC Name:
5-[bis(prop-2-enyl)amino]benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C14H15NO4/c1-3-5-15(6-4-2)12-8-10(13(16)17)7-11(9-12)14(18)19/h3-4,7-9H,1-2,5-6H2,(H,16,17)(H,18,19)
InChI Key:
KWYYSUIUKXSGGH-UHFFFAOYSA-N
SMILES:
C=CCN(c1cc(cc(c1)C(=O)O)C(=O)O)CC=C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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