Basic information
- CAS
364730-55-2- Standard SMILES
CCOC(=O)[C@@H]1CC=CCO1- InChIKey
LVSGIRALGRTDAN-ZETCQYMHSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- ethyl (2S)-3,6-dihydro-2H-pyran-2-carboxylate
- IUPAC
- ethyl (2S)-3,6-dihydro-2H-pyran-2-carboxylate
- English name
- 2H-Pyran-2-carboxylicacid,3,6-dihydro-,ethylester,(2S)-(9CI)
- Molecular formula
- C8H12O3
- Molecular weight
- 156.18
Names & synonyms
SCHEMBL5699527AKOS0063070412H-Pyran-2-carboxylic acid, 3,6-dihydro-, ethyl ester, (2S)-2H-Pyran-2-carboxylicacid,3,6-dihydro-,ethylester,(2S)-(9CI)
Database identifiers
- CAS
364730-55-2- PubChem CID
- 11412511
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 203.2 · 203.2±40.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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