CAS
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2-[(2-Hydroxyethyl)sulfinyl]benzoic acid
Catalog Number
ACMA00000504
Category
Alcohols
Molecular Weight
214.24
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Specification
Hazard Statements
H302-H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula of the compound is C9H10O4S.
What is the molecular weight of the compound?
The molecular weight of the compound is 214.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(2-hydroxyethylsulfinyl)benzoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H10O4S/c10-5-6-14(13)8-4-2-1-3-7(8)9(11)12/h1-4,10H,5-6H2,(H,11,12).
What is the InChIKey of the compound?
The InChIKey of the compound is GBUZLIPXKOPXJZ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C(=C1)C(=O)O)S(=O)CCO.
What is the ChEMBL ID of the compound?
The ChEMBL ID of the compound is CHEMBL1441468.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is -0.2.
How many hydrogen bond donor atoms are present in the compound?
There are 2 hydrogen bond donor atoms present in the compound.
How many hydrogen bond acceptor atoms are present in the compound?
There are 5 hydrogen bond acceptor atoms present in the compound.
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