Vitas-M small molecule compound

3-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,2-diol

Catalog ID
STL433199
SMILES OCC(Cc1cc(OC)c2c(c1)OCO2)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 C11H14O5 MW 226.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14O5/c1-14-9-3-7(2-8(13)5-12)4-10-11(9)16-6-15-10/h3-4,8,12-13H,2,5-6H2,1H3
InChIKey
AWESBQDPCBCYFU-UHFFFAOYSA-N
Synonyms
54306-09-1
12PROPANEDIOL3(7METHOXY13BENZODIOXOL5YL)
3(7METHOXY13BENZODIOXOL5YL)12PROPANEDIOL
3(7methoxy13benzodioxol5yl)propane12diol
3(7METHOXY2HBENZO(D)13DIOXOLAN5YL)PROPANE12DIOL
3(7METHOXYBENZO(13)DIOXOL5YL)PROPANE12DIOL
54306091
COC1=CC(=CC2=C1OCO2)CC(CO)O
InChI=1SC11H14O5c114937(28(13)512)41011(9)1661510h3481213H256H21H3
MFCD23703687
ZINC000014817995
ZINC000014817997

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Available files

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