11-Naphthalen-2-ylsulfanylundecanoic acid
Basic information
- CAS
5455-41-4- Standard SMILES
O=C(O)CCCCCCCCCCSc1ccc2ccccc2c1- InChIKey
JCJADVOZGRRLDA-UHFFFAOYSA-N- Molecular formula
- C21H28O2S
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.18100131
Names & identifiers
- Preferred name
- 11-Naphthalen-2-ylsulfanylundecanoic acid
- IUPAC
- 11-naphthalen-2-ylsulfanylundecanoic acid
Names & synonyms
5455-41-411-naphthalen-2-ylsulfanylundecanoic acidNSC23338DTXSID10281883NSC-2333811-[(Naphthalen-2-yl)sulfanyl]undecanoic acid
Database identifiers
- CAS
5455-41-4- PubChem CID
- 229571
- DTXSID
DTXSID10281883
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 345
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Compound notes
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