Basic information
- CAS
57543-54-1- Standard SMILES
COc1cccc2c1OCC(C(C)=O)=C2- InChIKey
WIKPKPNOYJJBLE-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 3-acetyl-8-methoxy-
- IUPAC
- 1-(8-methoxy-2H-chromen-3-yl)ethanone
- English name
- 1-(8-Methoxy-2H-chromen-3-yl)-1-ethanone
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22
Names & synonyms
57543-54-12H-1-BENZOPYRAN, 3-ACETYL-8-METHOXY-DTXSID40206165RefChem:1065163DTXCID401286561-(8-methoxy-2H-chromen-3-yl)ethanone1-(8-methoxy-2H-chromen-3-yl)-1-ethanone1-(8-methoxy-2H-chromen-3-yl)ethan-1-oneMFCD01662274BRN 1244878Ketone, 8-methoxy-2H-1-benozpyran-3-yl methylSCHEMBL9058215
Show more names
8-Methoxy-3-acetyl-2H-1-benzopyran3-Acetyl-8-methoxy-2H-1-benzopyran1-(8-Methoxy-2H-1-benzopyran-3-yl)ethanoneEthanone, 1-(8-methoxy-2H-1-benzopyran-3-yl)-
3-acetyl-8-methoxy-2H-chromeneSBB093303AKOS005073112KA-0839CS-02720941-(8-methoxy-2H-chromen-3-yl)-1- ethanoneEN300-7266861-(8-Methoxy-2H-1-benzopyran-3-yl)ethan-1-one
Database identifiers
- CAS
57543-54-1- PubChem CID
- 42433
- DTXSID
DTXSID40206165- Nikkaji
- J132.052A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 104 · 104-106°
- Boiling point
- 302.71 °C · 302.71°C (rough estimate)
- Density
- 1.1554 · 1.1554 (rough estimate)
- refractive index
- 1.5205 · 1.5205 (estimate)
- 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_class
- IRRITANT
Chemistry & industry
Suppliers4 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [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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