Home Carboxys 5-amino-4-hydroxybenzene-1,3-dicarboxylic acid

5-amino-4-hydroxybenzene-1,3-dicarboxylic acid

CAS No.:
101421-79-8
Catalog Number:
AG01DX52
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
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Product Description
Catalog Number:
AG01DX52
Chemical Name:
5-amino-4-hydroxybenzene-1,3-dicarboxylic acid
CAS Number:
101421-79-8
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD20652576
IUPAC Name:
5-amino-4-hydroxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H7NO5/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,10H,9H2,(H,11,12)(H,13,14)
InChI Key:
NRLAHLDJPVUAFP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N)c(c(c1)C(=O)O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties