Basic information
- CAS
57543-56-3- Standard SMILES
COc1ccc2c(c1)C=C(C(C)=O)CO2- InChIKey
BEOYIJRGYVVEHY-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-6-methoxy-
- IUPAC
- 1-(6-methoxy-2H-chromen-3-yl)ethanone
- English name
- 1-(6-METHOXY-2H-CHROMENE-3-YL)ETHAN-1-ONE
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22
Names & synonyms
57543-56-31-(6-methoxy-2H-chromen-3-yl)ethanone2H-1-BENZOPYRAN, 3-ACETYL-6-METHOXY-1-(6-methoxy-2H-chromen-3-yl)ethan-1-one1-(6-Methoxy-2H-chromene-3-yl)ethan-1-oneBRN 1244918Ketone, 6-methoxy-2H-1-benzopyran-3-yl methylSCHEMBL9058391CHEMBL31258296-Methoxy-3-acetyl-2H-chromeneDTXSID60206167BEOYIJRGYVVEHY-UHFFFAOYSA-N
Show more names
3-acetyl-6-methoxy-2h-1-benzopyra3-Acetyl-6-methoxy-2H-1-benzopyranEthanone, 1-(6-methoxy-2H-1-benzopyran-3-yl)-
AKOS015969355EN300-7267021-(6-Methoxy-2H-1-benzopyran-3-yl)ethan-1-one
Database identifiers
- CAS
57543-56-3- PubChem CID
- 42435
- DTXSID
DTXSID60206167- ChEMBL
CHEMBL3125829- Nikkaji
- J132.050E
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
- Boiling point
- 302.71 °C · 302.71°C (rough estimate)
- Density
- 1.1554 · 1.1554 (rough estimate)
- refractive index
- 1.5205 · 1.5205 (estimate)
Chemistry & industry
Suppliers6 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
FOCUS[email protected]
FULCRUM—
3B Scientific Corporation[email protected]
如东物理化学厂[email protected]
Related reactions
1 records
Compound notes
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