Home Carboxys 4-amino-6-hydroxybenzene-1,3-dicarboxylic acid

4-amino-6-hydroxybenzene-1,3-dicarboxylic acid

CAS No.:
15540-79-1
Catalog Number:
AG01B81I
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
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Product Description
Catalog Number:
AG01B81I
Chemical Name:
4-amino-6-hydroxybenzene-1,3-dicarboxylic acid
CAS Number:
15540-79-1
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD20638466
IUPAC Name:
4-amino-6-hydroxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H7NO5/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,10H,9H2,(H,11,12)(H,13,14)
InChI Key:
BLBBHFYLFBKYNA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C(=O)O)c(cc1N)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:
1  
Properties