Ethyl bicyclo[1.1.0]butane-1-carboxylate
Basic information
- CAS
29820-55-1- Standard SMILES
CCOC(=O)C12CC1C2- InChIKey
FGTIQKGKVZKRJL-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- Ethyl bicyclo[1.1.0]butane-1-carboxylate
- IUPAC
- ethyl bicyclo[1.1.0]butane-1-carboxylate
Names & synonyms
Ethyl bicyclo[1.1.0]butane-1-carboxylate29820-55-1Bicyclo[1.1.0]butane-1-carboxylic acid, ethyl esterSCHEMBL11788063DTXSID40511862Ethylbicyclo[1.1.0]butane-1-carboxylateethyl bicyclo-[1.1.0]butane-1-carboxylate
Database identifiers
- CAS
29820-55-1- PubChem CID
- 12866172
- DTXSID
DTXSID40511862- Nikkaji
- J1.199.407E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 156
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Compound notes
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