Basic information
- CAS
731802-26-9- Standard SMILES
CCOCc1c(C(=O)O)oc2ccccc12- InChIKey
QDLPJYSSHZFNAE-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- 3-(Ethoxymethyl)-1-benzofuran-2-carboxylic acid
- IUPAC
- 3-(ethoxymethyl)-1-benzofuran-2-carboxylic acid
- English name
- 3-(Ethoxymethyl)-1-benzofuran-2-carboxylic acid
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
3-(ethoxymethyl)-1-benzofuran-2-carboxylic acid731802-26-93-(ethoxymethyl)benzofuran-2-carboxylic AcidMFCD04627328DTXSID00393944AKOS000359765AS-440123-(ethoxymethyl)benzofuran-2-carboxylicAcidCS-0220677EN300-07265F643354Z56950520
Show more names
2-Benzofurancarboxylic acid, 3-(ethoxymethyl)-
Database identifiers
- CAS
731802-26-9- PubChem CID
- 3589845
- DTXSID
DTXSID00393944
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 114 · 114-115 °C
- Boiling point
- 341.2 · 341.2±27.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 3.13 · 3.13±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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