CAS
91903-08-1 Purity
96%
91903-08-1 Purity
96%
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O-Toluenesulfonic acid,phenyl ester
CAS
91903-33-2
Catalog Number
ACM91903332
Category
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What is the molecular formula of O-Toluenesulfonic acid, phenyl ester?
The molecular formula is C13H12O3S.
What is the molecular weight of O-Toluenesulfonic acid, phenyl ester?
The molecular weight is 248.30 g/mol.
What is the IUPAC name of O-Toluenesulfonic acid, phenyl ester?
The IUPAC name is phenyl 2-methylbenzenesulfonate.
What is the InChI of O-Toluenesulfonic acid, phenyl ester?
The InChI is InChI=1S/C13H12O3S/c1-11-7-5-6-10-13(11)17(14,15)16-12-8-3-2-4-9-12/h2-10H,1H3.
What is the InChIKey of O-Toluenesulfonic acid, phenyl ester?
The InChIKey is ODOPFDLFKUKZCU-UHFFFAOYSA-N.
What is the Canonical SMILES of O-Toluenesulfonic acid, phenyl ester?
The Canonical SMILES is CC1=CC=CC=C1S(=O)(=O)OC2=CC=CC=C2.
What is the XLogP3-AA value of O-Toluenesulfonic acid, phenyl ester?
The XLogP3-AA value is 3.4.
How many hydrogen bond receptor counts does O-Toluenesulfonic acid, phenyl ester have?
It has 3 hydrogen bond receptor counts.
What is the topological polar surface area of O-Toluenesulfonic acid, phenyl ester?
The topological polar surface area is 51.8 Ų.
Is O-Toluenesulfonic acid, phenyl ester a canonicalized compound?
Yes, it is a canonicalized compound.
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91903-72-9 Purity
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91903-72-9 Purity
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