Basic information
- CAS
300674-08-2- Standard SMILES
CCOc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1- InChIKey
KVFWYSGPOFMEIA-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Names & identifiers
- Preferred name
- 5-Ethoxy-2-phenyl-1-benzofuran-3-carboxylic acid
- IUPAC
- 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylic acid
- English name
- CHEMBRDG-BB 6239135
- Molecular formula
- C17H14O4
- Molecular weight
- 282.29
Names & synonyms
300674-08-25-ethoxy-2-phenyl-1-benzofuran-3-carboxylic acid5-Ethoxy-2-phenylbenzofuran-3-carboxylic acidMFCD01847520SMR000070811MLS000061950Opera_ID_143CBMicro_002895Oprea1_483170CHEMBL1367018DTXSID00357586HMS1611O18
Show more names
CHEMBRDG-BB 62391353-Benzofurancarboxylic acid, 5-ethoxy-2-phenyl-5-ethoxy-2-phenyl-1-benzofuran-3-carboxylic acid(SALTDATA: FREE)
HMS2332L21SMSF0018574STL324991AKOS001616638CB04529BS-37487BIM-0002941.P001DB-207078
Database identifiers
- CAS
300674-08-2- PubChem CID
- 854516
- DTXSID
DTXSID00357586- ChEMBL
CHEMBL1367018
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 447.6 · 447.6±40.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 3.1 · 3.10±0.30(Predicted)
Chemistry & industry
Suppliers3 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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