Vitas-M small molecule compound

2-(methoxycarbonyl)benzoic acid

Catalog ID
STK387125
SMILES COC(=O)c1ccccc1C(=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 C9H8O4 MW 180.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey
FNJSWIPFHMKRAT-UHFFFAOYSA-N
Synonyms
4376-18-5
12BENZENEDICARBOXYLICACID1METHYLESTER
12BENZENEDICARBOXYLICACIDMONOMETHYLESTER
12BENZENEDICARBOXYLICACIDMONOMETHYLESTER(9CI)
2(1METHOXYCARBONYL)BENZOICACID
2(METHOXYCARBONYL)BENZOATE
2(methoxycarbonyl)benzoicacid
2CARBOMETHOXYBENZOICACID
2METHOXYCARBONYLBENZOICACID
4376185
COC(=O)C1=CC=CC=C1C(=O)O
InChI=1SC9H8O4c1139(12)753246(7)8(10)11h25H1H3(H1011)
METHYL2CARBOXYBENZOATE
METHYLHYDROGENPHTHALATE
METHYLPHTHALATE
METHYLPHTHALATE(VAN)
MFCD00002466
MONOMETHYL12BENZENEDICARBOXYLATE
MONOMETHYLPHTHALATE
O(METHOXYCARBONYL)BENZOATE
O(METHOXYCARBONYL)BENZOICACID
PHTHALICACID1METHYL
PHTHALICACIDMETHYLESTER
PHTHALICACIDMONOMETHYLESTER
PHTHALICACIDMONOMETHYLESTER(8CI)
ZINC000000391887
ZINC391887

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Available files

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