2,4-Dimethoxybenzenesulfonic acid

HCID 12374067

Notes Reactions

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Basic information

CAS: 7134-13-6
Standard SMILES: COc1ccc(S(=O)(=O)O)c(OC)c1
InChIKey: ZPHMCVPMYLSOJH-UHFFFAOYSA-N
Molecular formula: C8H10O5S
Average molar mass: 218.23 g/mol
Monoisotopic mass: 218.02489459

Names & identifiers

Preferred name: 2,4-Dimethoxybenzenesulfonic acid
IUPAC: 2,4-dimethoxybenzenesulfonic acid

Names & synonyms

2,4-dimethoxybenzenesulfonic acid7134-13-6SCHEMBL669063SCHEMBL7046102DTXSID60494981ZPHMCVPMYLSOJH-UHFFFAOYSA-N2,4-Dimethoxybenzene-1-sulfonic acidDB-3464922,4-Dimethoxybenzenesulfonic acid, AldrichCPR

Database identifiers

CAS: 7134-13-6
PubChem CID: 12374067
DTXSID: DTXSID60494981

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 81.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 268

Related reactions

2 records

New reaction record

HRID 127337As productuspto-grants-1981_03

HRID 127338As reactantuspto-grants-1981_03

Compound notes

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