Methyl 3-cyanobenzoate

Name: Methyl 3-cyanobenzoate
SKU: PI13531481
Rating: 5 (1 reviews)

Catalog NumberPI13531481

CAS Number13531-48-1

CategoryGenetic/Enzyme Disorder Intermediates

Ataluren intermediate

Product Details

Synonyms	Benzoic acid, 3-cyano-, methyl ester
Molecular Formula	C9H7NO2
Molecular Weight	161.16
Density	1.18±0.1 g/cm3 (Predicted)
Melting Point	58 °C
Boiling Point	267.2±23.0 °C (Predicted)

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Other Identifiers

IUPAC Name	methyl 3-cyanobenzoate
InChI	InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3
InChI Key	XPBHWSMZTSSEJE-UHFFFAOYSA-N
Canonical SMILES	COC(=O)C1=CC=CC(=C1)C#N
EC Number	620-003-6
MDL Number	MFCD00220156

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