Basic information
- CAS
627-48-5- Standard SMILES
CCOC#N- InChIKey
JXBPSENIJJPTCI-UHFFFAOYSA-N- Molecular formula
- C3H5NO
- Average molar mass
- 71.08 g/mol
- Monoisotopic mass
- 71.03711378
Names & identifiers
- Preferred name
- Ethyl cyanate
- IUPAC
- ethyl cyanate
- English name
- ethyl cyanate
- Molecular formula
- C3H5NO
- Molecular weight
- 71.08
Names & synonyms
Ethyl cyanateCyanic acid, ethyl esterDTXSID70336424RefChem:138897DTXCID20287513JXBPSENIJJPTCI-UHFFFAOYSA-N627-48-5cyanoethylateSCHEMBL264242SCHEMBL8468689SCHEMBL8468690EN300-3425424
Show more names
Cyanic acid ethyl esterCyanic acid, ethyl ester (7CI,8CI,9CI)
Database identifiers
- CAS
627-48-5- PubChem CID
- 533706
- DTXSID
DTXSID70336424- Nikkaji
- J117.058I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 51.2
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- 162 °C · 162 °C (decomp)
- Boiling point
- 124 °C · 124°C (rough estimate)
- Density
- 0.89 · 0.8900
- refractive index
- 1.3788 · 1.3788
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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