Basic information
- CAS
21587-39-3- Standard SMILES
COc1ccc2oc(C(C)=O)cc2c1- InChIKey
DZOXPAYEAYNYMA-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- Ethanone, 1-(5-methoxy-2-benzofuranyl)-
- IUPAC
- 1-(5-methoxy-1-benzofuran-2-yl)ethanone
- English name
- 1-(5-Methoxy-2-benzofuranyl)ethanone
- Molecular formula
- C11H10O3
- Molecular weight
- 190.2
Names & synonyms
Ethanone, 1-(5-methoxy-2-benzofuranyl)-1-(5-Methoxy-2-benzofuranyl)ethanoneBRN 12842425-Methoxy-2-benzofuranyl methyl ketoneDTXSID00175949KETONE, 5-METHOXY-2-BENZOFURANYL METHYL5-18-01-00454 (Beilstein Handbook Reference)RefChem:341259DTXCID3098440Ethanone, 1-(5-methoxy-2-benzofuranyl)-(9CI)21587-39-32-ACETYL-5-METHOXYBENZOFURAN
Show more names
1-(5-methoxy-1-benzofuran-2-yl)ethanone1-(5-Methoxybenzofuran-2-yl)ethan-1-one2-acetyl-5-methoxybenzo[b]furanMFCD017164241-(5-methoxy-1-benzofuran-2-yl)ethan-1-one1-(5-methoxy-2-benzofuranyl)-EthanoneSCHEMBL12875531-(5-methoxybenzofuran-2-yl)ethanone
Database identifiers
- CAS
21587-39-3- PubChem CID
- 30697
- DTXSID
DTXSID00175949- Nikkaji
- J71.229I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 285.69 °C · 285.69°C (rough estimate)
- Density
- 1.1752 · 1.1752 (rough estimate)
- refractive index
- 1.5854 · 1.5854 (estimate)
Chemistry & industry
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海奈亦斯生物科技有限公司18321139117 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
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