11-[(Carboxymethyl)sulfonyl]undecanoic acid
Basic information
- CAS
5455-44-7- Standard SMILES
O=C(O)CCCCCCCCCCS(=O)(=O)CC(=O)O- InChIKey
OVHXWEKCWFCXBH-UHFFFAOYSA-N- Molecular formula
- C13H24O6S
- Average molar mass
- 308.39 g/mol
- Monoisotopic mass
- 308.12935965
Names & identifiers
- Preferred name
- 11-[(Carboxymethyl)sulfonyl]undecanoic acid
- IUPAC
- 11-(carboxymethylsulfonyl)undecanoic acid
Names & synonyms
5455-44-711-[(carboxymethyl)sulfonyl]undecanoic acidNSC23342DTXSID90281886NSC-2334211-(Carboxymethanesulfonyl)undecanoic acid
Database identifiers
- CAS
5455-44-7- PubChem CID
- 229575
- DTXSID
DTXSID90281886
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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