CAS:39581-55-0 / 5-methoxybenzofuran-3(2H)-one--Hangzhou Chempro Technology Co., Ltd.

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

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

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