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141111-57-1 | 1,3-Benzenedicarboxylic acid, 5-(2-amino-4-carboxyphenoxy)-
CAS No: 141111-57-1 Catalog No: AG001FY6 MDL No:MFCD19053247
Product Description
Catalog Number:
AG001FY6
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(2-amino-4-carboxyphenoxy)-
CAS Number:
141111-57-1
Molecular Formula:
C15H11NO7
Molecular Weight:
317.2503
MDL Number:
MFCD19053247
IUPAC Name:
5-(2-amino-4-carboxyphenoxy)benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C15H11NO7/c16-11-6-7(13(17)18)1-2-12(11)23-10-4-8(14(19)20)3-9(5-10)15(21)22/h1-6H,16H2,(H,17,18)(H,19,20)(H,21,22)
InChI Key:
QMXHMQKFNBAXTB-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1Oc1cc(cc(c1)C(=O)O)C(=O)O)C(=O)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
317.253g/mol
Monoisotopic Mass:
317.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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