6-hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid
Basic information
- CAS
435297-35-1- Standard SMILES
Cc1c(C(=O)O)c(=O)oc2ccc(O)cc12- InChIKey
NAKYXMFBKWCPCQ-UHFFFAOYSA-N- Molecular formula
- C11H8O5
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.03717335
Names & identifiers
- Preferred name
- 6-hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid
- IUPAC
- 6-hydroxy-4-methyl-2-oxochromene-3-carboxylic acid
- English name
- 6-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid
- Molecular formula
- C11H8O5
- Molecular weight
- 220.18
Names & synonyms
435297-35-16-hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid6-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid6-hydroxy-4-methyl-2-oxochromene-3-carboxylic acidMFCD092588862H-1-Benzopyran-3-carboxylicacid, 6-hydroxy-4-methyl-2-oxo-DTXSID90675428KSA29735AKOS015958412CS-02316846-Hydroxy-4-methylcoumarin-3-carboxylic acidEN300-109446
Show more names
F88355F6501976-hydroxy-4-methyl-2-oxo-chromene-3-carboxylic acid6-hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylicacidZ1424655698
Database identifiers
- CAS
435297-35-1- PubChem CID
- 46741371
- DTXSID
DTXSID90675428- Nikkaji
- J3.479.845A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 479 · 479.0±45.0 °C(Predicted)
- Density
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- pka
- 1.58 · 1.58±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…