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CAS Number: 20825-89-2
3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carboxylic acid

Structure

3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carboxylic acid
Name: 3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carboxylic acid
Synonyms:
General Information
Product Number: 20825892

CAS Registry Number 20825-89-2
Name:
2H-​1,​5-​Benzodioxepin-​7-​carboxylic acid, 3,​4-​dihydro-
3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxylic acid
3,4-Dihydro-2H-benzo[b][1,4]dioxepine-7-carboxylic acid

 

Chemical Formula: C10H10O4
Exact Mass: 194.06
Molecular Weight: 194.18
m/z: 194.06 (100.0%), 195.06 (11.1%), 196.06 (1.3%)

 

InChI:InChI=1S/C10H10O4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2,(H,11,12)

InChI Key:MQSSBVLREFSMDP-UHFFFAOYSA-N

Canonical SMILES:C1COC2=C(C=C(C=C2)C(=O)O)OC1

Specification

98%

References

PCT Int. Appl. (2015), WO 2015049535 A1 20150409. 

PCT Int. Appl. (2012), WO 2012164085 A1 20121206.

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