Basic information
- CAS
16824-02-5- Standard SMILES
CCOC1OC(=O)c2ccccc21- InChIKey
VCBNFFOSUGMASJ-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- Phthalide, 3-ethoxy-
- IUPAC
- 3-ethoxy-3H-2-benzofuran-1-one
- English name
- 3-Ethoxy-1(3H)-isobenzofuranone
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
Phthalide, 3-ethoxy-16824-02-53-ETHOXY-1(3H)-ISOBENZOFURANONE3-Ethoxyisobenzofuran-1(3H)-one3-ethoxy-3H-2-benzofuran-1-one1(3H)-Isobenzofuranone, 3-ethoxy-3-Ethoxy-2-benzofuran-1(3H)-one3-EthoxyphthalideNSC60055SCHEMBL9538694SCHEMBL13302911SCHEMBL30408659
Show more names
VCBNFFOSUGMASJ-UHFFFAOYSA-NDTXSID501303460NSC 60055NSC-60055NSC132303AKOS0243358163-Ethoxy-2-benzofuran-1(3H)-one #NSC 132303
Database identifiers
- CAS
16824-02-5- PubChem CID
- 28100
- DTXSID
DTXSID501303460- Nikkaji
- J102.638K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 64 · 64-65 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 306.8 · 306.8±42.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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