5,6-Dimethyl-4-oxopyran-2-carboxylate
Basic information
- CAS
92490-75-0- Standard SMILES
Cc1oc(C(=O)[O-])cc(=O)c1C- InChIKey
FDBZURJIEXDCCQ-UHFFFAOYSA-M- Molecular formula
- C8H7O4-
- Average molar mass
- 167.14 g/mol
- Monoisotopic mass
- 167.0344337
Names & identifiers
- Preferred name
- 5,6-Dimethyl-4-oxopyran-2-carboxylate
- IUPAC
- 5,6-dimethyl-4-oxopyran-2-carboxylate
- English name
- 5,6-dimethyl-4-oxo-pyran-2-carboxylate
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
5,6-dimethyl-4-oxopyran-2-carboxylateDTXSID204275385,6-Dimethyl-4-oxo-4H-pyran-2-carboxylate5,6-dimethyl-4-oxo-pyran-2-carboxylate4H-Pyran-2-carboxylic acid, 5,6-dimethyl-4-oxo-
Database identifiers
- CAS
92490-75-0- PubChem CID
- 7036091
- DTXSID
DTXSID20427538
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- -1
- Complexity
- 304
Physicochemical properties
- 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…