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88194-10-9 | 1,3-Benzenedicarboxylic acid, 5-[(1-oxo-2-propenyl)amino]-
CAS No: 88194-10-9 Catalog No: AG004C9H MDL No:
Product Description
Catalog Number:
AG004C9H
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-[(1-oxo-2-propenyl)amino]-
CAS Number:
88194-10-9
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
IUPAC Name:
5-(prop-2-enoylamino)benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C11H9NO5/c1-2-9(13)12-8-4-6(10(14)15)3-7(5-8)11(16)17/h2-5H,1H2,(H,12,13)(H,14,15)(H,16,17)
InChI Key:
SCBDZPZGJABXBH-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.195g/mol
Monoisotopic Mass:
235.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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