1,7-Nonanediol
Basic information
- CAS
4469-84-5- Standard SMILES
CCC(O)CCCCCCO- InChIKey
HGQPJWDYHDWFEH-UHFFFAOYSA-N- Molecular formula
- C9H20O2
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.14632988
Names & identifiers
- Preferred name
- 1,7-Nonanediol
- IUPAC
- nonane-1,7-diol
Names & synonyms
1,7-Nonanediol4469-84-5DTXSID80460082RefChem:221717DTXCID80410901Nonane-1,7-diolSCHEMBL555852SCHEMBL11490472AKOS017978064
Database identifiers
- CAS
4469-84-5- PubChem CID
- 11252166
- DTXSID
DTXSID80460082
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 74
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Related reactions
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Compound notes
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