2-Methylbenzofuran-7-carboxylic acid
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Basic information
- CAS
31457-07-5- Standard SMILES
Cc1cc2cccc(C(=O)O)c2o1- InChIKey
CEBDXRXVGUQZJK-UHFFFAOYSA-N- Molecular formula
- C10H8O3
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.04734411
Names & identifiers
- Preferred name
- 2-Methylbenzofuran-7-carboxylic acid
- IUPAC
- 2-methyl-1-benzofuran-7-carboxylic acid
- English name
- 2-METHYLBENZOFURAN-7-CARBOXYLIC ACID
- Molecular formula
- C10H8O3
- Molecular weight
- 176.17
Names & synonyms
2-methylbenzofuran-7-carboxylic acid31457-07-52-methyl-1-benzofuran-7-carboxylic acid7-Benzofurancarboxylicacid, 2-methyl-MFCD03426824NSC1181712-METHYLBENZOFURAN-7-CARBOXYLICACIDSCHEMBL3306573SCHEMBL6202861DTXSID80297799CEBDXRXVGUQZJK-UHFFFAOYSA-NAKOS006283230
Show more names
CHEMBRDG-BB 40137457-Benzofurancarboxylic acid, 2-methyl-2-methyl-1-benzofuran-7-carboxylic acid(SALTDATA: FREE)
NSC-118171BS-36772DB-004747CS-0450922AP-836/41220389F309310
Database identifiers
- CAS
31457-07-5- PubChem CID
- 273174
- DTXSID
DTXSID80297799
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 342.7 · 342.7±22.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 2.85 · 2.85±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
2 records
Compound notes
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