Basic information
- CAS
67292-69-7- Standard SMILES
CC(C)C(=O)c1ccc2c(c1)OCO2- InChIKey
DEKHBCCIHCQNFM-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 3',4'-(Methylenedioxy)isobutyrophenone
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-2-methylpropan-1-one
- English name
- 3',4'-Methylenedioxyisobutyrophenone
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
ISOBUTYROPHENONE, 3',4'-(METHYLENEDIOXY)-BRN 13124963',4'-(Methylenedioxy)isobutyrophenoneDTXSID702176285-19-04-00257 (Beilstein Handbook Reference)RefChem:269335DTXCID2014011967292-69-71-(Benzo[d][1,3]dioxol-5-yl)-2-methylpropan-1-one1-(1,3-benzodioxol-5-yl)-2-methylpropan-1-one1-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYLPROPAN-1-ONE3',4'-(Methylenedioxy)-2-methylpropiophenone
Show more names
MFCD017181151-Propanone, 1-(1,3-benzodioxol-5-yl)-2-methyl-3',4'-MethylenedioxyisobutyrophenoneSCHEMBL11629969F3930471-(1,3-benzodioxol-5-yl)-2-methyl-propan-1-one
Database identifiers
- CAS
67292-69-7- PubChem CID
- 49757
- DTXSID
DTXSID70217628- Nikkaji
- J68.604B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 311.7 · 311.7±31.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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