11-Methylsulfonylundecanoic acid

HCID 348990

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4230-11-9
Standard SMILES: CS(=O)(=O)CCCCCCCCCCC(=O)O
InChIKey: ZLYZILSADOYIRH-UHFFFAOYSA-N
Molecular formula: C12H24O4S
Average molar mass: 264.38 g/mol
Monoisotopic mass: 264.13953025

Names & identifiers

Preferred name: 11-Methylsulfonylundecanoic acid
IUPAC: 11-methylsulfonylundecanoic acid

Names & synonyms

4230-11-911-methylsulfonylundecanoic acidNSC408533SCHEMBL9340855DTXSID70325075ZLYZILSADOYIRH-UHFFFAOYSA-N11-(methylsulfonyl)undecanoic acid11-(Methanesulfonyl)undecanoic acidNSC-408533

Database identifiers

CAS: 4230-11-9
PubChem CID: 348990
DTXSID: DTXSID70325075

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 17
Formal charge: 0
Complexity: 290

Related reactions

8 records

New reaction record

HRID 621400As reactantuspto-grants-1989_04

HRID 845351As productuspto-grants-1988_07

HRID 845352As reactantuspto-grants-1988_07

HRID 1084290As productuspto-grants-1991_04

HRID 1084291As reactantuspto-grants-1991_04

HRID 2326989As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2380072As productuspto-grants-1994_11

HRID 2380073As reactantuspto-grants-1994_11

Compound notes

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