3-(Nonylsulfanyl)propanoic acid
Basic information
- CAS
5402-67-5- Standard SMILES
CCCCCCCCCSCCC(=O)O- InChIKey
KVZNKFXIXVQOED-UHFFFAOYSA-N- Molecular formula
- C12H24O2S
- Average molar mass
- 232.38 g/mol
- Monoisotopic mass
- 232.14970118
Names & identifiers
- Preferred name
- 3-(Nonylsulfanyl)propanoic acid
- IUPAC
- 3-nonylsulfanylpropanoic acid
Names & synonyms
5402-67-53-(nonylsulfanyl)propanoic acidNSC8530SCHEMBL9262447DTXSID60278622NSC-8530
Database identifiers
- CAS
5402-67-5- PubChem CID
- 222483
- DTXSID
DTXSID60278622- Nikkaji
- J262.192D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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