Basic information
- CAS
39581-55-0- Standard SMILES
COc1ccc2c(c1)C(=O)CO2- InChIKey
VKHVAQOGXRYNNQ-UHFFFAOYSA-N- Molecular formula
- C9H8O3
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.04734412
Names & identifiers
- Preferred name
- 5-Methoxybenzofuran-3(2H)-one
- IUPAC
- 5-methoxy-1-benzofuran-3-one
- English name
- 5-Methoxybenzofuran-3(2H)-one
- Molecular formula
- C9H8O3
- Molecular weight
- 164.16
Names & synonyms
39581-55-05-METHOXYBENZOFURAN-3(2H)-ONE5-Methoxy-benzofuran-3-one5-Methoxy-1-benzofuran-3(2H)-one5-methoxy-1-benzofuran-3-one3(2H)-BENZOFURANONE, 5-METHOXY-5-Methoxy-3-BenzofuranoneMFCD085444105-METHOXY-3(2H)-BENZOFURANONE5-methoxy-2,3-dihydro-1-benzofuran-3-one5-methoxybenzofuran-3-oneNSC404884
Show more names
AKOS BC-09115-Nitro-3-Benzofuranone (2)1H-1,4-Diazepine,hexahydro-4-(phenylmethyl)-
SCHEMBL1729115-methoxy-3-benzo[b]furanoneDTXSID10323797VKHVAQOGXRYNNQ-UHFFFAOYSA-N5-methoxy-benzofuran-3 (2H)-onePBA58155AKOS000223983AB45799
Database identifiers
- CAS
39581-55-0- PubChem CID
- 346608
- DTXSID
DTXSID10323797- Nikkaji
- J2.331.974H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Orange to reddish brown Solid
- InChI
- InChI=1S/C9H8O3/c1-11-6-2-3-9-7(4-6)8(10)5-12-9/h2-4H,5H2,1H3
- InChIKey
- VKHVAQOGXRYNNQ-UHFFFAOYSA-N
- SMILES
- O1C2=CC=C(OC)C=C2C(=O)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers54 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Related reactions
7 records
Compound notes
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