6-Chloro-7-methylchromone-2-carboxylic acid
Basic information
- CAS
262590-94-3- Standard SMILES
Cc1cc2oc(C(=O)O)cc(=O)c2cc1Cl- InChIKey
UAOFSXACYWSXCJ-UHFFFAOYSA-N- Molecular formula
- C11H7ClO4
- Average molar mass
- 238.62 g/mol
- Monoisotopic mass
- 238.0032864
Names & identifiers
- Preferred name
- 6-Chloro-7-methylchromone-2-carboxylic acid
- IUPAC
- 6-chloro-7-methyl-4-oxochromene-2-carboxylic acid
- English name
- 6-Chloro-7-methyl-4-oxo-4H-1-benzopyran-2-carboxylic acid
- Molecular formula
- C11H7ClO4
- Molecular weight
- 238.62
Names & synonyms
262590-94-36-CHLORO-7-METHYLCHROMONE-2-CARBOXYLIC ACID6-chloro-7-methyl-4-oxochromene-2-carboxylic acid6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxylic acid4H-1-Benzopyran-2-carboxylicacid, 6-chloro-7-methyl-4-oxo-SBB0032276-Chloro-7-methyl-4-oxo-4H-1-benzopyran-2-carboxylic acidOprea1_3184476-chloro-7-methyl-4-oxo-chromene-2-carboxylic AcidSCHEMBL5085548SCHEMBL31081384DTXSID70350963
Show more names
4H-1-Benzopyran-2-carboxylic acid, 6-chloro-7-methyl-4-oxo-
HTS26925MFCD01242618STK908180AKOS002216329FC57288DB-428673CS-0279713ST45213968
Database identifiers
- CAS
262590-94-3- PubChem CID
- 688708
- DTXSID
DTXSID70350963
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
- 16
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 411.9 · 411.9±45.0 °C(Predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- pka
- 2 · 2.00±0.20(Predicted)
- HS Code
- 2932990090 · 2932990090
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
- hs_code
- 2932990090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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