1-((Benzyloxy)methyl)cyclopropane-1-carbonitrile
Basic information
- CAS
1387565-90-3- Standard SMILES
N#CC1(COCc2ccccc2)CC1- InChIKey
LJSLKCAHBHMAEH-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- 1-((Benzyloxy)methyl)cyclopropane-1-carbonitrile
- IUPAC
- 1-(phenylmethoxymethyl)cyclopropane-1-carbonitrile
Names & synonyms
1-((Benzyloxy)methyl)cyclopropane-1-carbonitrile1387565-90-31-[(Benzyloxy)methyl]cyclopropane-1-carbonitrileDTXSID801218585Cyclopropanecarbonitrile, 1-[(phenylmethoxy)methyl]-
Database identifiers
- CAS
1387565-90-3- PubChem CID
- 97033900
- DTXSID
DTXSID801218585
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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