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CAS Number: 120511-80-0
methyl 3-(cyanomethyl)-5-methylbenzoate

Structure

methyl 3-(cyanomethyl)-5-methylbenzoate
Name: methyl 3-(cyanomethyl)-5-methylbenzoate
Synonyms:
General Information
Product Number: 120511800

CAS Registry Number 120511-80-0
Name:
Benzoic acid, 3-?(cyanomethyl)?-?5-?methyl-?, methyl ester
3-Cyanomethyl-5-methylbenzoic acid methyl ester
Methyl 3-(cyanomethyl)-5-methylbenzoate

 

Chemical Formula: C11H11NO2
Exact Mass: 189.08
Molecular Weight: 189.21
m/z: 189.08 (100.0%), 190.08 (12.3%)

 

InChI:InChI=1S/C11H11NO2/c1-8-5-9(3-4-12)7-10(6-8)11(13)14-2/h5-7H,3H2,1-2H3

InChI Key:BTDNTIVTGOHHKQ-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=CC(=C1)C(=O)OC)CC#N

 

Thermal Properties Value Condition Note
Melting Point 56-57 °C   (1)CAS

Specification

98%

References
  1. (1) Jackson, Toby; Organic & Biomolecular Chemistry 2007, V5(18), P2940-2952 CAPLUS
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