3-Oxo-1,3-dihydrobenzo[c]isothiazole-5-carboxylic acid

HCID 89613346
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc2[nH]sc(=O)c2c1
InChIKey
GEIUTVXVLXPZKU-UHFFFAOYSA-N
Molecular formula
C8H5NO3S
Average molar mass
195.2 g/mol

Names & identifiers

Preferred name
3-Oxo-1,3-dihydrobenzo[c]isothiazole-5-carboxylic acid
IUPAC
3-oxo-1H-2,1-benzothiazole-5-carboxylic acid

Names & synonyms

SCHEMBL15009951GEIUTVXVLXPZKU-UHFFFAOYSA-N3-oxo-1,3-dihydrobenzo[c]isothiazole-5-carboxylic acid

Database identifiers

PubChem CID
89613346

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
91.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Related reactions

1 records
New reaction record

Compound notes

Loading…