2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid
Basic information
- CAS
3265-58-5- Standard SMILES
Cc1cc(=O)c(C(=O)O)c(C)o1- InChIKey
MZMRFDKQPOMOGX-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225874
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid
- IUPAC
- 2,6-dimethyl-4-oxopyran-3-carboxylic acid
Names & synonyms
2,6-dimethyl-4-oxo-4H-pyran-3-carboxylic acid3265-58-54H-Pyran-3-carboxylic acid, 2,6-dimethyl-4-oxo-DTXSID90186327RefChem:1060273DTXCID001088182,6-dimethyl-4-oxopyran-3-carboxylic acidMFCD00202218BRN 01330332,6-Dimethyl-4-pyrone-3-carboxylic acid5-18-08-00154 (Beilstein Handbook Reference)SCHEMBL3557080
Show more names
MZMRFDKQPOMOGX-UHFFFAOYSA-N3-carboxy-2,6-dimethylpyr-4-oneAKOS005097879DB-3763202,6-dimethyl-4-oxo-pyran-3-carboxylic acid2,6-dimethyl-4-oxo-4H-pyran-3-carboxylicacid7H-938
Database identifiers
- CAS
3265-58-5- PubChem CID
- 201105
- DTXSID
DTXSID90186327- Nikkaji
- J1.401.798D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 309
Related reactions
5 records
Compound notes
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