Vitas-M small molecule compound

2-hydroxy-3-methyl-5-nitrobenzoic acid

Catalog ID
STL289845
SMILES [O-][N+](=O)c1cc(C)c(c(c1)C(=O)O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C8H7NO5 MW 197.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7NO5/c1-4-2-5(9(13)14)3-6(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKey
JNZXWLAEKYYPHA-UHFFFAOYSA-N
Synonyms
54674-88-3
(O)(N+)(=O)c1cc(C)c(c(c1)C(=O)O)O
2hydroxy3methyl5nitrobenzoicacid
54674883
BENZOICACID2HYDROXY3METHYL5NITRO
CC1=C(C(=CC(=C1)(N+)(=O)(O))C(=O)O)O
InChI=1SC8H7NO5c1425(9(13)14)36(7(4)10)8(11)12h2310H1H3(H1112)
MFCD13704881
ZINC000039248560
ZINC39248560

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.