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CAS Number: 68634-04-8
methyl 1-cyano-2,3-dihydro-1H-indene-5-carboxylate

Structure

methyl 1-cyano-2,3-dihydro-1H-indene-5-carboxylate
Name: methyl 1-cyano-2,3-dihydro-1H-indene-5-carboxylate
Synonyms:
General Information
Product Number: 68634048

CAS Registry Number 68634-04-8
Name:
1H-?Indene-?5-?carboxylic acid, 1-?cyano-?2,?3-?dihydro-?, methyl ester

 

Chemical Formula: C12H11NO2
Exact Mass: 201.08
Molecular Weight: 201.22
m/z: 201.08 (100.0%), 202.08 (13.4%)

 

InChI:InChI=1S/C12H11NO2/c1-15-12(14)9-4-5-11-8(6-9)2-3-10(11)7-13/h4-6,10H,2-3H2,1H3

InChI Key:DKGBKGLYJPJKNM-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC2=C(C=C1)C(CC2)C#N

 

Thermal Properties Value Condition Note
Melting Point 75-76 °C Solv: isopropyl ether (108-20-3) (1)IC

Specification

98%

References

(1) Aono, Tetsuya; Chemical & Pharmaceutical Bulletin 1978, V26(8), P2475-82 CAPLUS

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