3M0

2-azanyl-3-methyl-benzoic acid

Created:	2014-02-06
Last modified:	2020-06-05

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2 entries where 3M0 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 3M0

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Chemical Component Summary
Name	2-azanyl-3-methyl-benzoic acid
Synonyms	3-methylanthranilate
Systematic Name (OpenEye OEToolkits)	2-azanyl-3-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)c1cccc(c1N)C
SMILES	CACTVS	3.385	Cc1cccc(C(O)=O)c1N
SMILES	OpenEye OEToolkits	1.9.2	Cc1cccc(c1N)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1cccc(C(O)=O)c1N
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1cccc(c1N)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey	InChI	1.03	WNAJXPYVTFYEST-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	14083659, 78101
ChEBI	CHEBI:80574
CCDC/CSD	AMEBAC

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