Basic information
- CAS
20076-86-2- Standard SMILES
Cc1sc(O)c(-c2ccccc2)c(=O)c1C(=O)O- InChIKey
YDTRHUZOOVJOAN-UHFFFAOYSA-N- Molecular formula
- C13H10O4S
- Average molar mass
- 262.28 g/mol
- Monoisotopic mass
- 262.02997997
Names & identifiers
- Preferred name
- 6-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acid
- IUPAC
- 6-hydroxy-2-methyl-4-oxo-5-phenylthiopyran-3-carboxylic acid
Names & synonyms
DTXSID509421036-Hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylic acidRefChem:1073970DTXCID20137051920076-86-2SV 54-Hydroxy-6-methyl-2-oxo-3-phenyl-2H-thiopyran-5-carboxylic acid3-Phenyl-4-hydroxy-5-carboxy-6-methyl-thia-alpha-pyron [German]2H-Thiopyran-5-carboxylic acid, 4-hydroxy-6-methyl-2-oxo-3-phenyl-3-Phenyl-4-hydroxy-5-carboxy-6-methyl-thia-alpha-pyron4H-Thiopyran-3-carboxylic acid, 6-hydroxy-2-methyl-4-oxo-5-phenyl-
Database identifiers
- CAS
20076-86-2- PubChem CID
- 88360
- DTXSID
DTXSID50942103- Nikkaji
- J1.574.350F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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