CAS
915907-98-1 Purity
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915907-98-1 Purity
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2-Hydroxy-4,5,6-trimethylnicotinonitrile
CAS
91591-59-2
Catalog Number
ACM91591592
Category
Other Products
Molecular Weight
162.19
Molecular Formula
C9H10 N2 O
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Specification
Synonyms
2-HYDROXY-4,5,6-TRIMETHYLNICOTINONITRILE;2-HYDROXY-4,5,6-TRIMETHYLPYRIDINE-3-CARBONITRILE
IUPAC Name
4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile
Canonical SMILES
CC1=C(NC(=O)C(=C1C)C#N)C
InChI Key
ATHBJRFQFOFPLV-UHFFFAOYSA-N
Boiling Point
334.8ºC at 760 mmHg
Flash Point
156.3ºC
Density
1.12g/cm³
Exact Mass
162.07900
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The molecular formula is C9H10N2O.
What is the molecular weight of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The molecular weight is 162.19 g/mol.
What is the IUPAC name of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The IUPAC name is 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the InChI of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The InChI is InChI=1S/C9H10N2O/c1-5-6(2)8(4-10)9(12)11-7(5)3/h1-3H3,(H,11,12).
What is the InChIKey of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The InChIKey is ATHBJRFQFOFPLV-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The canonical SMILES is CC1=C(NC(=O)C(=C1C)C#N)C.
What is the CAS number of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The CAS number is 91591-59-2.
What is the XLogP3-AA value of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The XLogP3-AA value is 0.3.
How many hydrogen bond donor counts does 2-Hydroxy-4,5,6-trimethylnicotinonitrile have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 2-Hydroxy-4,5,6-trimethylnicotinonitrile have?
It has 2 hydrogen bond acceptor counts.
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