Basic information
- CAS
58545-97-4- Standard SMILES
COc1cc(OC)c2c(c1)C(=O)OC2- InChIKey
FJPMLTZXTKBVKX-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 4,6-Dimethoxy-phthalide
- IUPAC
- 4,6-dimethoxy-3H-2-benzofuran-1-one
- English name
- 4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-one
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
58545-97-44,6-dimethoxy-1,3-dihydro-2-benzofuran-1-one4,6-dimethoxyisobenzofuran-1(3h)-one4,6-dimethoxy-phthalideMFCD032735414,6-dimethoxy-3H-2-benzofuran-1-one4,6-dimethoxy-3H-isobenzofuran-1-one4,6-Dimethoxy-2-benzofuran-1(3H)-one1(3H)-Isobenzofuranone, 4,6-dimethoxy-4,6-dimethoxyphthalide4,6-Dimethoxy-1(3H)-isobenzofuranone4,6-dimethoxyphth alide
Show more names
Phthalide, 4,6-dimethoxy-T2XWA4R33ZMLS000704024SCHEMBL6200978CHEMBL1482042CHEBI:167434HMS2536A16ICA54597
Database identifiers
- CAS
58545-97-4- PubChem CID
- 596895
- ChEMBL
CHEMBL1482042- ChEBI
CHEBI:167434- UNII
- T2XWA4R33Z
- Nikkaji
- J1.368.935K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 164 °C · 164 °C
- Boiling point
- 404.2 · 404.2±45.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Additional notes
DefinitionChEBI: 4,6-Dimethoxy-phthalide is a member of 2-benzofurans.
Related reactions
2 records
Compound notes
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