Vitas-M small molecule compound

benzene-1,3-dicarboxylic acid

Catalog ID
STL163327
SMILES OC(=O)c1cccc(c1)C(=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 C8H6O4 MW 166.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey
QQVIHTHCMHWDBS-UHFFFAOYSA-N
Synonyms
121-91-5
(H+)(H+)C1=CC(=CC(=C1)C(=O)(O))C(=O)(O)
121915
13BENZENEDICARBOXYLICACID
ACIDEISOPHTALIQUE
ACIDEISOPHTALIQUE(FRENCH)
benzene13dicarboxylatehydron
benzene13dicarboxylicacid
BENZENE13DIOICACID
InChI=1SC8H6O4c97(10)52136(45)8(11)12h14H(H910)(H1112)
ISOPHTHALICACID
MBENZENEDICARBOXYLICACID
MDICARBOXYBENZENE
METABENZENEDICARBOXYLICACID
METAPHTHALICACID
MFCD00002516
MPHTHALICACID
ZINC000003845021
ZINC3845021

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Available files

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