CAS
9039-53-6 Purity
96%
9039-53-6 Purity
96%
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3-(4-Chlorobenzenesulfonyl)propionic acid
CAS
90396-00-2
Catalog Number
ACM90396002
Category
Other Products
Molecular Weight
247.675420 [g/mol]
Molecular Formula
C9H9ClO4S
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Specification
Synonyms
3-(4-Chlorobenzenesulfonyl)propionic acid;3-[(4-Chlorophenyl)sulfonyl]propanoic acid
IUPAC Name
3-(4-chlorophenyl)sulfonylpropanoate
InChI Key
ZEYRBFCQZXZIQU-UHFFFAOYSA-M
Boiling Point
479.5ºC at 760mmHg
Flash Point
243.8ºC
Density
1.455g/cm³
Exact Mass
247.99100
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C9H9ClO4S.
What are the synonyms of the compound?
The synonyms of the compound are:
1. 3-[(4-Chlorophenyl)sulfonyl]propanoic acid
2. 3-(4-Chloro-benzenesulfonyl)-propionic acid
3. 3-((4-chlorophenyl)sulfonyl)propanoic acid
4. 3-(4-chlorophenyl)sulfonylpropanoic acid
What is the molecular weight of the compound?
The molecular weight of the compound is 248.68 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(4-chlorophenyl)sulfonylpropanoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H9ClO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12).
What is the InChIKey of the compound?
The InChIKey of the compound is ZEYRBFCQZXZIQU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC=C1S(=O)(=O)CCC(=O)O)Cl.
What is the CAS number of the compound?
The CAS number of the compound is 90396-00-2.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 1.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 4.
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