Vitas-M small molecule compound

3-{[(2-chloroprop-2-en-1-yl)oxy]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK030624
SMILES ClC(=C)COC(=O)C1C2C=CC(C1C(=O)O)C2

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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 C12H13ClO4 MW 256.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClO4/c1-6(13)5-17-12(16)10-8-3-2-7(4-8)9(10)11(14)15/h2-3,7-10H,1,4-5H2,(H,14,15)
InChIKey
JDQQHYBAWBPWFX-UHFFFAOYSA-N
Synonyms
304437-68-1
(1R2R4S)3(((2chloroallyl)oxy)carbonyl)bicyclo(221)hept5ene2carboxylicacid
3(((2CHLORO2PROPENYL)OXY)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3(((2CHLOROPROP2EN1YL)OXY)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((2CHLOROPROP2ENYL)OXYCARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3(2CHLOROPROP2ENOXYCARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
304437681
BICYCLO(221)HEPT5ENE23DICARBOXYLICACIDMONO(2CHLOROALLYL)ESTER
C=C(COC(=O)C1C2CC(C1C(=O)O)C=C2)Cl
ClC(=C)COC(=O)(C@H)1C2C=CC(C1C(=O)O)C2
ClC(=C)COC(=O)C1C2C=CC(C1C(=O)O)C2
InChI=1SC12H13ClO4c16(13)51712(16)108327(48)9(10)11(14)15h23710H145H2(H1415)
MFCD08689412
STK030624
ZINC000100006754
ZINC000239121028

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Available files

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