CAS
92901-07-0 Purity
96%
92901-07-0 Purity
96%
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2-Methyl-2-(5-methylpyridin-2-yl)propanenitrile
CAS
929021-97-6
Catalog Number
ACM929021976
Category
Other Products
Molecular Weight
160.21568
Molecular Formula
C10H12N2
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Specification
Synonyms
2-Methyl-2-(5-methylpyridin-2-yl)propanenitrile
IUPAC Name
2-methyl-2-(5-methylpyridin-2-yl)propanenitrile
Canonical SMILES
CC1=CN=C(C=C1)C(C)(C)C#N
InChI Key
RZSFRZYGHSQKDJ-UHFFFAOYSA-N
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula is C10H12N2.
What is the molecular weight of the compound?
The molecular weight is 160.22 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-methyl-2-(5-methylpyridin-2-yl)propanenitrile.
What is the InChI of the compound?
The InChI is InChI=1S/C10H12N2/c1-8-4-5-9(12-6-8)10(2,3)7-11/h4-6H,1-3H3.
What is the InChIKey of the compound?
The InChIKey is RZSFRZYGHSQKDJ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC1=CN=C(C=C1)C(C)(C)C#N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.8.
How many hydrogen bond donor count does the compound have?
The compound has a hydrogen bond donor count of 0.
How many hydrogen bond acceptor count does the compound have?
The compound has a hydrogen bond acceptor count of 2.
How many rotatable bond count does the compound have?
The compound has a rotatable bond count of 1.
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