3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid
Basic information
- CAS
895651-88-4- Standard SMILES
O=C(O)c1ccc2oc(=O)c(S(=O)(=O)c3ccccc3)cc2c1- InChIKey
YTSBFAKPBQURMK-UHFFFAOYSA-N- Molecular formula
- C16H10O6S
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.01980921
Names & identifiers
- Preferred name
- 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acid
- IUPAC
- 3-(benzenesulfonyl)-2-oxochromene-6-carboxylic acid
Names & synonyms
895651-88-43-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylic acidRefChem:494229818-310-72-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylic acid3-(benzenesulfonyl)-2-oxochromene-6-carboxylic acidMLS001199410CHEMBL1604329HMS2868M21VKB65188AKOS001812834SMR000562861
Show more names
EN300-16545313-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylicacidF1609-0606
Database identifiers
- CAS
895651-88-4- PubChem CID
- 7185002
- ChEMBL
CHEMBL1604329- EC Number
- 818-310-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 623
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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