11-(Carboxymethylsulfanyl)undecanoic acid
Basic information
- CAS
5455-43-6- Standard SMILES
O=C(O)CCCCCCCCCCSCC(=O)O- InChIKey
UZICAMHUAFUEMM-UHFFFAOYSA-N- Molecular formula
- C13H24O4S
- Average molar mass
- 276.39 g/mol
- Monoisotopic mass
- 276.13953042
Names & identifiers
- Preferred name
- 11-(Carboxymethylsulfanyl)undecanoic acid
- IUPAC
- 11-(carboxymethylsulfanyl)undecanoic acid
Names & synonyms
11-(carboxymethylsulfanyl)undecanoic acid5455-43-6DTXSID30281885RefChem:236145DTXCID6023303911-[(carboxymethyl)sulfanyl]undecanoic acidNSC2334111-((Carboxymethyl)thio)undecanoic acidSCHEMBL8025679NSC-2334111-(carboxymethylthio )-undecanoic acid
Database identifiers
- CAS
5455-43-6- PubChem CID
- 229574
- DTXSID
DTXSID30281885
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 231
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Compound notes
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