Propyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate
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Basic information
- CAS
7470-47-5- Standard SMILES
CCCOC(=O)c1c(C)cc(=O)oc1C- InChIKey
QRUNYUVTFYIPPQ-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- Propyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate
- IUPAC
- propyl 2,4-dimethyl-6-oxopyran-3-carboxylate
- English name
- propyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate
- Molecular formula
- C11H14O4
- Molecular weight
- 0
Names & synonyms
7470-47-5NSC402798PROPYL 2,4-DIMETHYL-6-OXO-PYRAN-3-CARBOXYLATEpropyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylateDTXSID70323016NSC-402798ST025305propyl 4,6-dimethyl-2-oxopyran-5-carboxylate
Database identifiers
- CAS
7470-47-5- PubChem CID
- 345285
- DTXSID
DTXSID70323016
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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