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CAS Number: 39581-55-0
5-methoxybenzofuran-3(2H)-one

Structure

5-methoxybenzofuran-3(2H)-one
Name: 5-methoxybenzofuran-3(2H)-one
Synonyms:
General Information
Product Number: 39581550

CAS Registry Number 39581-55-0
Name:
3(2H)?-?Benzofuranone, 5-?methoxy-
2,3-Dihydro-5-methoxybenzo[b]furan-3-one
5-Methoxy-3(2H)-benzofuranone
5-Methoxy-3-benzo[b]furanone
5-Methoxybenzofuran-3(2H)-one
NSC 404884

 

Chemical Formula: C9H8O3
Exact Mass: 164.05
Molecular Weight: 164.16
m/z: 164.05 (100.0%), 165.05 (9.9%), 166.05 (1.0%)

 

InChI:InChI=1S/C9H8O3/c1-11-6-2-3-9-7(4-6)8(10)5-12-9/h2-4H,5H2,1H3

InChI Key:VKHVAQOGXRYNNQ-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1)OCC2=O

 

Thermal Properties Value Condition Note
Melting Point 94 °C Solv: ligroine (8032-32-4) (1)IC
Melting Point 93 °C Solv: ethanol (64-17-5) (2)IC
Melting Point 92 °C   (3)CAS
Melting Point 90-92 °C Solv: ethyl ether (60-29-7) (4)IC

Specification

98%

References
  1. (1) Turan - Zitouni, Gulhan; Chimica Acta Turcica 1985, V13(3), P403-12 CAPLUS
  2. (2) Cagniant, Paul; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques 1976, V282(21), P993-6 CAPLUS
  3. (3) Monte, Aaron P.; Journal of Medicinal Chemistry 1998, V41(12), P2134-2145 CAPLUS
  4. (4) Hammond, Milton L.; Journal of Medicinal Chemistry 1990, V33(3), P908-18 CAPLUS
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