4A3

4-AMINO-3-HYDROXYBENZOIC ACID

Created:	2006-06-21
Last modified:	2011-06-04

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1 entries where 4A3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of 4A3

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Chemical Component Summary
Name	4-AMINO-3-HYDROXYBENZOIC ACID
Systematic Name (OpenEye OEToolkits)	4-amino-3-hydroxy-benzoic acid
Formula	C₇ H₇ N O₃
Molecular Weight	153.135
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1cc(O)c(N)cc1
SMILES	CACTVS	3.341	Nc1ccc(cc1O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1C(=O)O)O)N
Canonical SMILES	CACTVS	3.341	Nc1ccc(cc1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1C(=O)O)O)N
InChI	InChI	1.03	InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)
InChIKey	InChI	1.03	NFPYJDZQOKCYIE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137566
ChEMBL	CHEMBL1462
CCDC/CSD	WUWNOU

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.