4-(N-Hydroxyethanimidoyl)heptan-4-ol
Basic information
- CAS
58626-08-7- Standard SMILES
CCCC(O)(CCC)C(C)=NO- InChIKey
XUUFRWLPRJGMLL-UHFFFAOYSA-N- Molecular formula
- C9H19NO2
- Average molar mass
- 173.25 g/mol
- Monoisotopic mass
- 173.14157885
Names & identifiers
- Preferred name
- 4-(N-Hydroxyethanimidoyl)heptan-4-ol
- IUPAC
- 4-(N-hydroxy-C-methylcarbonimidoyl)heptan-4-ol
Names & synonyms
58626-08-74-(N-Hydroxyethanimidoyl)heptan-4-olSCHEMBL11676073DTXSID50974166
Database identifiers
- CAS
58626-08-7- PubChem CID
- 325880
- DTXSID
DTXSID50974166
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
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Compound notes
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