Basic information
- CAS
3214-12-8- Standard SMILES
COc1cc2c(cc1OC)OCO2- InChIKey
BCVVSOXKFUQQQF-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-1,3-benzodioxole
- IUPAC
- 5,6-dimethoxy-1,3-benzodioxole
- English name
- 5,6-Dimethoxy-1,3-benzodioxole
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
5,6-Dimethoxy-1,3-benzodioxole3214-12-85,6-Dimethoxybenzo[d][1,3]dioxole1,3-Benzodioxole, 5,6-dimethoxy-5,6-dimethoxy-2H-1,3-benzodioxoleSCHEMBL5458653DTXSID10185918BCVVSOXKFUQQQF-UHFFFAOYSA-NAKOS0062920674,5-dimethoxy-1,2-methylenedioxybenzeneDB-295868
Database identifiers
- CAS
3214-12-8- PubChem CID
- 13675422
- DTXSID
DTXSID10185918- Nikkaji
- J1.043.438F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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