CAS
956823-99-7 Purity
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956823-99-7 Purity
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![ACETAMIDE,2-[(8-METHOXY-5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-YL)THIO]-N-METHYL-N-[(1-PHENYL-1H-PYRAZOL-4-YL)METHYL]-](https://resource.alfa-chemistry.com/structure/956930-66-8.gif)
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(E)-2-(3-(Dimethylamino)-1-methoxyallylidene)malononitril
CAS
95689-38-6
Catalog Number
ACM95689386
Category
Other Products
Molecular Weight
177.2
Molecular Formula
C9H11N3O
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What is the molecular formula of the compound with PubChem CID 5710132?
The molecular formula is C9H11N3O.
What is the molecular weight of the compound?
The molecular weight is 177.20 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-[(E)-3-(dimethylamino)-1-methoxyprop-2-enylidene]propanedinitrile.
What is the InChI of the compound?
The InChI is InChI=1S/C9H11N3O/c1-12(2)5-4-9(13-3)8(6-10)7-11/h4-5H,1-3H3/b5-4+.
What is the InChIKey of the compound?
The InChIKey is YEUYKZLMAGACBX-SNAWJCMRSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES is CN(C)C=CC(=C(C#N)C#N)OC.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
What is the exact mass of the compound?
The exact mass is 177.090211983 g/mol.
How many rotatable bonds does the compound have?
The compound has 3 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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