6-Chloro-4-oxo-4H-chromene-3-carboxylic acid
Basic information
- CAS
51085-92-8- Standard SMILES
O=C(O)c1coc2ccc(Cl)cc2c1=O- InChIKey
ATDTYCFXRNCJHO-UHFFFAOYSA-N- Molecular formula
- C10H5ClO4
- Average molar mass
- 224.59 g/mol
- Monoisotopic mass
- 223.9876363
Names & identifiers
- Preferred name
- 6-Chloro-4-oxo-4H-chromene-3-carboxylic acid
- IUPAC
- 6-chloro-4-oxochromene-3-carboxylic acid
- English name
- 6-Chlorochromone-3-carboxylic acid
- Molecular formula
- C10H5ClO4
- Molecular weight
- 224.6
Names & synonyms
51085-92-86-Chlorochromone-3-carboxylic acid6-CHLORO-4-OXO-4H-CHROMENE-3-CARBOXYLIC ACID6-CHLORO-4-OXOCHROMENE-3-CARBOXYLIC ACIDCHEMBL2312485MFCD034245046-Chloro-4-oxo-4H-1-benzopyran-3-carboxylic acid6-CHLOROCHROMONE-3-CARBOXYLICACIDSCHEMBL31723115DTXSID30480179BDBM50489179AS-84238
Show more names
RARECHEM AL BO 1383TIMTEC-BB SBB0054194H-1-Benzopyran-3-carboxylic acid, 6-chloro-4-oxo-JRH-00503, 6-Chloro-4-oxo-4H-chromene-3-carboxylic acid, 97%
6-chloro-4-oxo-chromene-3-carboxylic acidDB-359513CS-0173348E82143
Database identifiers
- CAS
51085-92-8- PubChem CID
- 12200770
- DTXSID
DTXSID30480179- ChEMBL
CHEMBL2312485- Nikkaji
- J839.507A
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 336
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Solid
- 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
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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