Vitas-M small molecule compound

3-methyl-2-nitrobenzoic acid

Catalog ID
STK498737
SMILES [O-][N+](=O)c1c(C)cccc1C(=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 C8H7NO4 MW 181.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey
DGDAVTPQCQXLGU-UHFFFAOYSA-N
Synonyms
5437-38-7
(O)(N+)(=O)c1c(C)cccc1C(=O)O
2NITRO3METHYLBENZOICACID
3methyl2nitrobenzoicacid
5437387
BENZOICACID3METHYL2NITRO
CC1=CC=CC(=C1(N+)(=O)(O))C(=O)O
InChI=1SC8H7NO4c153246(8(10)11)7(5)9(12)13h24H1H3(H1011)
MFCD00007180
ZINC000001733813
ZINC1733813

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Available files

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