5M0

2-azanyl-5-methyl-benzoic acid

Created:	2014-02-06
Last modified:	2021-03-01

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1 entries where 5M0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of 5M0

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Chemical Component Summary
Name	2-azanyl-5-methyl-benzoic acid
Synonyms	5-methylanthranilate
Systematic Name (OpenEye OEToolkits)	2-azanyl-5-methyl-benzoic acid
Formula	C₈ H₉ N O₂
Molecular Weight	151.163
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1cc(ccc1N)C
SMILES	CACTVS	3.385	Cc1ccc(N)c(c1)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(c(c1)C(=O)O)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(N)c(c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(c(c1)C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey	InChI	1.03	NBUUUJWWOARGNW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76255
CCDC/CSD	GAZZAK, CURKOR

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