CAS 287193-06-0 Ethyl 4-oxo-3,4-dihydro-2H-pyran-2-carboxylate (HCID 22495097)

Substructure search Find similar structures

Basic information

CAS: 287193-06-0
Standard SMILES: CCOC(=O)C1CC(=O)C=CO1
InChIKey: IAAASNBKIHCSJH-UHFFFAOYSA-N
Molecular formula: C8H10O4
Average molar mass: 170.16 g/mol
Monoisotopic mass: 170.0579088

Names & identifiers

Preferred name: Ethyl 4-oxo-3,4-dihydro-2H-pyran-2-carboxylate
IUPAC: ethyl 4-oxo-2,3-dihydropyran-2-carboxylate
English name: Ethyl 4-oxo-3,4-dihydro-2H-pyran-2-carboxylate
Molecular formula: C8H10O4
Molecular weight: 170.16

Names & synonyms

Ethyl 4-oxo-3,4-dihydro-2H-pyran-2-carboxylate287193-06-0ETHYL 4-OXO-2,3-DIHYDROPYRAN-2-CARBOXYLATE4-Oxo-3,4-dihydro-2H-pyran-2-carboxylic Acid Ethyl EsterSCHEMBL3821303DTXSID40626187IAAASNBKIHCSJH-UHFFFAOYSA-NDB-023435G88435Ethyl4-oxo-3,4-dihydro-2H-pyran-2-carboxylate2H-Pyran-2-carboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester

Database identifiers

CAS: 287193-06-0
PubChem CID: 22495097
DTXSID: DTXSID40626187
EC Number: 191-497-4
Nikkaji: J1.568.590E

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 219

Physicochemical properties

Boiling point: 242.8 · 242.8±29.0 °C(Predicted)
Density: 1.203 · 1.203±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362