5NA

2-hydroxy-5-methyl naphthoic acid

Created:	2009-07-10
Last modified:	2020-06-05

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1 entries where 5NA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of 5NA

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Chemical Component Summary
Name	2-hydroxy-5-methyl naphthoic acid
Synonyms	2-hydroxy-5-methylnaphthalene-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-hydroxy-5-methyl-naphthalene-1-carboxylic acid
Formula	C₁₂ H₁₀ O₃
Molecular Weight	202.206
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(O)c1c2c(ccc1O)c(ccc2)C
SMILES	CACTVS	3.352	Cc1cccc2c1ccc(O)c2C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	Cc1cccc2c1ccc(c2C(=O)O)O
Canonical SMILES	CACTVS	3.352	Cc1cccc2c1ccc(O)c2C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cccc2c1ccc(c2C(=O)O)O
InChI	InChI	1.03	InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)
InChIKey	InChI	1.03	KKMAZNUSFFWQQY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44182304
ChEBI	CHEBI:83434

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