Basic information
- CAS
13635-03-5- Standard SMILES
COCC(O)CC#N- InChIKey
VINMGQFONSAFIQ-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- 3-Hydroxy-4-methoxybutanenitrile
- IUPAC
- 3-hydroxy-4-methoxybutanenitrile
Names & synonyms
13635-03-53-hydroxy-4-methoxybutanenitrileNSC166626DTXSID50304646AKOS013262893NSC-166626
Database identifiers
- CAS
13635-03-5- PubChem CID
- 296464
- DTXSID
DTXSID50304646
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 93.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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