CAS
934-72-5 Purity
96%
934-72-5 Purity
96%
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3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-1,4-dimethyl-5-[2-[4-[(methylsulfonyl)oxy]phenyl]diazenyl]-2-oxo-
CAS
934747-29-2
Catalog Number
ACM934747292
Category
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What is the molecular weight of 3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-1,4-dimethyl-5-[2-[4-[(methylsulfonyl)oxy]phenyl]diazenyl]-2-oxo?
The molecular weight is 362.4 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name is [4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]phenyl] methanesulfonate.
What is the InChI of the compound?
The InChI is InChI=1S/C15H14N4O5S/c1-9-12(8-16)14(20)19(2)15(21)13(9)18-17-10-4-6-11(7-5-10)24-25(3,22)23/h4-7,20H,1-3H3.
What is the InChIKey of the compound?
The InChIKey is JETDJSREBTUSIL-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC=C(C=C2)OS(=O)(=O)C.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 8 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.7.
What is the topological polar surface area of the compound?
The topological polar surface area is 141 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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