CAS
928165-59-7 Purity
96%
928165-59-7 Purity
96%
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3-[(1S)-1-Aminoethyl]-benzenesulfonic acid
CAS
928196-33-2
Catalog Number
ACM928196332
Category
Other Products
Molecular Formula
C8H11NO3S
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Specification
Synonyms
Benzenesulfonic acid, 3-[(1S)-1-aminoethyl]-
What is the molecular formula of the compound with PubChem CID 73014083?
The molecular formula is C8H11NO3S.
What is the molecular weight of the compound?
The molecular weight is 201.25 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-[(1S)-1-aminoethyl]benzenesulfonic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C8H11NO3S/c1-6(9)7-3-2-4-8(5-7)13(10,11)12/h2-6H,9H2,1H3,(H,10,11,12)/t6-/m0/s1.
What is the InChIKey of the compound?
The InChIKey is JWZXSESGDAIHQY-LURJTMIESA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(C1=CC(=CC=C1)S(=O)(=O)O)N.
What is the XLogP3 value of the compound?
The XLogP3 value is -2.4.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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