Oxiranecarboxylic acid, 2-ethyl-, ethyl ester (9CI)
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Basic information
- CAS
146797-45-7- Standard SMILES
CCOC(=O)C1(CC)CO1- InChIKey
VJJPQMCQMIJXIC-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
Names & identifiers
- Preferred name
- Oxiranecarboxylic acid, 2-ethyl-, ethyl ester (9CI)
- IUPAC
- ethyl 2-ethyloxirane-2-carboxylate
- English name
- Oxiranecarboxylic acid, 2-ethyl-, ethyl ester (9CI)
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
146797-45-7Oxiranecarboxylic acid, 2-ethyl-, ethyl ester (9CI)SCHEMBL149674012-Oxiranecarboxylic acid, 2-ethyl-, ethyl ester
Database identifiers
- CAS
146797-45-7
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 156.1 · 156.1±15.0 °C(Predicted)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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