1-Methylethyl cyanoformate
Basic information
- CAS
59873-32-4- Standard SMILES
CC(C)OC(=O)C#N- InChIKey
MLLYPIKBTHTPEJ-UHFFFAOYSA-N- Molecular formula
- C5H7NO2
- Average molar mass
- 113.11 g/mol
- Monoisotopic mass
- 113.04767847
Names & identifiers
- Preferred name
- 1-Methylethyl cyanoformate
- IUPAC
- propan-2-yl cyanoformate
- English name
- Carbonocyanidic acid, 1-methylethyl ester
- Molecular formula
- C5H7NO2
- Molecular weight
- 113.11
Names & synonyms
59873-32-41-methylethyl cyanoformateNSC358927Propan-2-yl carbonocyanidateSCHEMBL7505382DTXSID60320397NSC-358927Carbonocyanidic acid, 1-methylethyl ester
Database identifiers
- CAS
59873-32-4- PubChem CID
- 338085
- DTXSID
DTXSID60320397- Nikkaji
- J617.698D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
SpringerMaterials PropertiesMolecular structure
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Compound notes
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