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Basic information
- CAS
110260-74-7- Standard SMILES
CCCCCCCCCC(CO)CO- InChIKey
UFCBBNJJKOMVCZ-UHFFFAOYSA-N- Molecular formula
- C12H26O2
- Average molar mass
- 202.33 g/mol
- Monoisotopic mass
- 202.19328007
Names & identifiers
- Preferred name
- 2-Nonylpropane-1,3-diol
- IUPAC
- 2-nonylpropane-1,3-diol
Names & synonyms
2-nonylpropane-1,3-diol110260-74-72-hydroxymethyl-1-undecanolSCHEMBL361362-n-Nonylpropan-1,3 -diolDTXSID70398300UFCBBNJJKOMVCZ-UHFFFAOYSA-NAKOS018005533ST51045803
Database identifiers
- CAS
110260-74-7- PubChem CID
- 3969744
- DTXSID
DTXSID70398300
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 100
Related reactions
4 records
Compound notes
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