Vitas-M small molecule compound
3-(dodeca-1,3-diyn-1-yl)benzoic acid
Catalog ID
STK024761
SMILES CCCCCCCCC#CC#Cc1cccc(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 C19H22O2 MW 282.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22O2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)19(20)21/h12,14-16H,2-8H2,1H3,(H,20,21)InChIKey
XWFNJAKOIGKFPQ-UHFFFAOYSA-NSynonyms
186966-83-6186966836
3(13DODECADIYN1YL)BENZOICACID
3(DODECA13DIYN1YL)BENZOICACID
3DODECA13DIYNYLBENZOICACID
BENZOICACID3(13DODECADIYNYL)
CCCCCCCCC#CC#CC1=CC(=CC=C1)C(=O)O
CCCCCCCCC#CC#Cc1cccc(c1)C(=O)O
InChI=1SC19H22O2c1234567891011131714121518(1617)19(20)21h121416H28H21H3(H2021)
MFCD03032860
STK024761
ZINC000098005229
ZINC98005229
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