Sec-butyl cyanate
Basic information
- CAS
1873-13-8- Standard SMILES
CCC(C)OC#N- InChIKey
DYGSSPHDQVPDJP-UHFFFAOYSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Names & identifiers
- Preferred name
- Sec-butyl cyanate
- IUPAC
- butan-2-yl cyanate
- English name
- sec-Butyl cyanate
- Molecular weight
- 0
Names & synonyms
Sec-butyl cyanatebutan-2-yl cyanate1873-13-8Cyanic acid, sec-butyl esterSec-butyl cyanate #SCHEMBL8763997DTXSID10338684DYGSSPHDQVPDJP-UHFFFAOYSA-N2-Cyanatobutane
Database identifiers
- CAS
1873-13-8- PubChem CID
- 550669
- DTXSID
DTXSID10338684- Nikkaji
- J13.049D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 81.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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