Basic information
- CAS
20895-46-9- Standard SMILES
Cc1cc(C)c2c(c1)C(=O)CO2- InChIKey
BVBPVVFLMVCYAJ-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 3(2H)-Benzofuranone, 5,7-dimethyl-
- IUPAC
- 5,7-dimethyl-1-benzofuran-3-one
- English name
- 3(2H)-Benzofuranone, 5,7-dimethyl-
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
20895-46-93(2H)-Benzofuranone, 5,7-dimethyl-5,7-Dimethylbenzofuran-3(2H)-one5,7-dimethyl-1-benzofuran-3-one5,7-Dimethyl-3(2H)-benzofuranone5,7-dimethylbenzofuran-3-oneSCHEMBL14883877BVBPVVFLMVCYAJ-UHFFFAOYSA-NDTXSID601302384MFCD12187662AKOS0095600565,7-Dimethyl-1-benzofuran-3(2H)-one
Show more names
5,7-Dimethyl-1-benzofuran-3(2H)-one #
Database identifiers
- CAS
20895-46-9- PubChem CID
- 595602
- DTXSID
DTXSID601302384- Nikkaji
- J101.433A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 306.2 · 306.2±42.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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