Basic information
- CAS
61658-90-0- Standard SMILES
CC=C1OC(=O)c2ccccc21- InChIKey
FLOWXWKOKRXGBR-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Names & identifiers
- Preferred name
- 3-Ethylidenephthalide
- IUPAC
- 3-ethylidene-2-benzofuran-1-one
- English name
- ethylidene phthalide
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
3-ethylidenephthalide61658-90-0NSC-508400DE3G2PC4GXSCHEMBL304550SCHEMBL9278590SCHEMBL11041413SCHEMBL110414153-Ethylidene-1(3H)-isobenzofuranone1(3H)-Isobenzofuranone, 3-ethylideneethylidene phthaliden-Butylphthalide-009
Show more names
Butyphthalide impurity9Butylphthalide Impurity 93-Butylphthalide Impurity 93-ethylideneisobenzofuran-1(3H)-one1(3H)-Isobenzofuranone, 3-ethylidene-3-Butylphthalide Impurity 9 (3-ethylidenephthalide)
Database identifiers
- CAS
61658-90-0- PubChem CID
- 350182
- UNII
- DE3G2PC4GX
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
- 230
Physicochemical properties
- Melting point
- 64 °C · 64 °C
- Boiling point
- 284.6 · 284.6±33.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers18 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
河北明吉化工科技有限公司13731109507 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
BOC Sciences16314854226 · [email protected]
山东诚创蓝海医药科技有限公司15662783880 · [email protected]
山东诚创蓝海医药科技有限公司0531-58897130 15508676053 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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