Basic information
- CAS
86854-64-0- Standard SMILES
C=C(C)CCON=O- InChIKey
NGOHFSQEKJJJIG-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- Nitrous acid, 3-methyl-3-butenyl ester
- IUPAC
- 3-methylbut-3-enyl nitrite
Names & synonyms
Nitrous acid, 3-methyl-3-butenyl ester86854-64-0SCHEMBL17154403DTXSID402358743-METHYLBUT-3-EN-1-YL NITRITE
Database identifiers
- CAS
86854-64-0- PubChem CID
- 145115
- DTXSID
DTXSID40235874
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 90.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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