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2,5-Dicarboxyaniline

Catalog Number
ACM10312557-2
CAS Number
10312-55-7
Product Name
2,5-Dicarboxyaniline
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
IUPAC Name
2-aminoterephthalic acid
Molecular Weight
181.15g/mol
Molecular Formula
C8H7NO4
InChI
InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChI Key
GPNNOCMCNFXRAO-UHFFFAOYSA-N
Complexity
228
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
181.03750770g/mol
Formal Charge
0
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
181.03750770g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
101Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.6
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