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Structure

Methyl4-(cyanomethyl)benzoate

CAS
57-12-5
Catalog Number
ACM57125
Category
Other Products
Molecular Weight
0
Molecular Formula
CHN

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Specification

Synonyms
Cyanides (as CN);Cyanides, except hydrogen cyanide, cyanogen & cyanogen chloride, (as CN);cyanide ion;Cyanogen ion
What is the molecular formula of Methyl 4-(cyanomethyl)benzoate?

The molecular formula of Methyl 4-(cyanomethyl)benzoate is C10H9NO2.

What is the molecular weight of Methyl 4-(cyanomethyl)benzoate?

The molecular weight of Methyl 4-(cyanomethyl)benzoate is 175.18 g/mol.

What is the IUPAC name of Methyl 4-(cyanomethyl)benzoate?

The IUPAC name of Methyl 4-(cyanomethyl)benzoate is methyl 4-(cyanomethyl)benzoate.

What is the InChI of Methyl 4-(cyanomethyl)benzoate?

The InChI of Methyl 4-(cyanomethyl)benzoate is InChI=1S/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3.

What is the InChIKey of Methyl 4-(cyanomethyl)benzoate?

The InChIKey of Methyl 4-(cyanomethyl)benzoate is XRZGMNGGCZTNGE-UHFFFAOYSA-N.

What is the canonical SMILES of Methyl 4-(cyanomethyl)benzoate?

The canonical SMILES of Methyl 4-(cyanomethyl)benzoate is COC(=O)C1=CC=C(C=C1)CC#N.

What is the CAS number of Methyl 4-(cyanomethyl)benzoate?

The CAS number of Methyl 4-(cyanomethyl)benzoate is 76469-88-0.

What is the European Community (EC) number of Methyl 4-(cyanomethyl)benzoate?

The European Community (EC) number of Methyl 4-(cyanomethyl)benzoate is 616-338-2.

What is the DSSTox Substance ID of Methyl 4-(cyanomethyl)benzoate?

The DSSTox Substance ID of Methyl 4-(cyanomethyl)benzoate is DTXSID00357248.

Is Methyl 4-(cyanomethyl)benzoate a canonicalized compound?

Yes, Methyl 4-(cyanomethyl)benzoate is a canonicalized compound.

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