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CAS Number: 924869-17-0
methyl benzo[d]oxazole-5-carboxylate

Structure

 methyl benzo[d]oxazole-5-carboxylate
Name: methyl benzo[d]oxazole-5-carboxylate
Synonyms:
General Information
Product Number: 924869170

CAS Registry Number 924869-17-0
Name:
5-​Benzoxazolecarboxyli​c acid, methyl ester
5-(Methoxycarbonyl)benzoxazole
Methyl benzoxazole-5-carboxylate

 

Chemical Formula: C9H7NO3
Exact Mass: 177.04
Molecular Weight: 177.16
m/z: 177.04 (100.0%), 178.05 (9.9%), 179.05 (1.1%)

 

InChI:InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-8-7(4-6)10-5-13-8/h2-5H,1H3

InChI Key:VHLBJWCXFIGALN-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC2=C(C=C1)OC=N2

 

Thermal Properties Value Condition Note
Melting Point 231 °C Solv: methanol (67-56-1) (1)CAS
Melting Point 107 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 74-76 °C Solv: methanol (67-56-1) (3)CAS

Specification

98%
References
  1. (1) Reena, M.; Yaoxue Xuebao 2010, V45(6), P730-734 CAPLUS
  2. (2) von Meyer, F.; Journal fuer Praktische Chemie (Leipzig) 1915, V92, P255-71 CAPLUS
  3. (3) Patil, Sunila T.; Pharmacia Sinica 2010, V1(2), P105-112 CAPLUS
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