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Home Carboxys 4-Aminobenzene-1,3-dicarboxylic acid

4-Aminobenzene-1,3-dicarboxylic acid

CAS No.:
33890-03-8
Catalog Number:
AG0037DY
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$113
- +
5g
97%
In Stock USA
United States
$475
- +
10g
97%
In Stock USA
United States
$844
- +
Product Description
Catalog Number:
AG0037DY
Chemical Name:
4-Aminobenzene-1,3-dicarboxylic acid
CAS Number:
33890-03-8
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00102008
IUPAC Name:
4-aminobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H7NO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChI Key:
BDBLLWHZWCBDAR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(=O)O)N
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Tetra-kis(μ-4-azido-benzoato-κO:O')bis-[(N,N-dimethyl-formamide-κO)copper(II)]. Acta crystallographica. Section E, Structure reports online 20120101
Properties