8-Methyl-2-oxo-2H-chromene-3-carboxylic acid
Basic information
- CAS
58734-32-0- Standard SMILES
Cc1cccc2cc(C(=O)O)c(=O)oc12- InChIKey
JGVTUAUTAMXVAF-UHFFFAOYSA-N- Molecular formula
- C11H8O4
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.04225873
Names & identifiers
- Preferred name
- 8-Methyl-2-oxo-2H-chromene-3-carboxylic acid
- IUPAC
- 8-methyl-2-oxochromene-3-carboxylic acid
- English name
- 8-methyl-2-oxo-2H-chromene-3-carboxylic acid
- Molecular formula
- C11H8O4
- Molecular weight
- 204.18
Names & synonyms
58734-32-08-Methyl-2-oxo-2H-chromene-3-carboxylic acidMFCD115745308-methyl-2-oxochromene-3-carboxylic acid2H-1-Benzopyran-3-carboxylic acid, 8-methyl-2-oxo-8-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acidSCHEMBL11341006SCHEMBL31315659DTXSID20504277SBB077426AKOS002679686HS-6060
Show more names
SY3019228-methyl-2-oxo-chromene-3-carboxylic acid8-Methyl-2-oxo-2H-chromene-3-carboxylicacidF869804
Database identifiers
- CAS
58734-32-0- PubChem CID
- 12609751
- DTXSID
DTXSID20504277
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 393.6 · 393.6±42.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- 1.8 · 1.80±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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Related reactions
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Compound notes
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