Hydroxycarbamic acid hexyl ester
Basic information
- CAS
592-70-1- Standard SMILES
CCCCCCOC(=O)NO- InChIKey
XDRRRJZZMBWXHF-UHFFFAOYSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Names & identifiers
- Preferred name
- Hydroxycarbamic acid hexyl ester
- IUPAC
- hexyl N-hydroxycarbamate
Names & synonyms
Hydroxycarbamic acid hexyl esterHexyl hydroxycarbamate592-70-1n-Hexyl N-hydroxycarbamateCCRIS 5075BRN 1857850CARBAMIC ACID, HYDROXY-, HEXYL ESTERDTXSID30974624Hexyl hydrogen hydroxycarbonimidate
Database identifiers
- CAS
592-70-1- PubChem CID
- 11609
- DTXSID
DTXSID30974624
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
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Compound notes
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