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CAS Number: 10078-55-4
1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-one

Structure

 1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-one
Name: 1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-one
Synonyms:
General Information
Product Number: 10078554

CAS Registry Number 10078-55-4
Name:
2-?Propyn-?1-?one, 1-?(3,?4,?5-?trimethoxyphenyl)?-
Propiolophenone, 3',4',5'-trimethoxy- (7CI,8CI)
1-(3,4,5-Trimethoxyphenyl)-2-propyn-1-one
3',4',5'-Trimethoxypropiolophenone

 

Chemical Formula: C12H12O4
Exact Mass: 220.07
Molecular Weight: 220.22
m/z: 220.07 (100.0%), 221.08 (13.3%), 222.08 (1.6%)

 

InChI:InChI=1S/C12H12O4/c1-5-9(13)8-6-10(14-2)12(16-4)11(7-8)15-3/h1,6-7H,2-4H3

InChI Key:GXTKIUNQMYBSSL-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C(=O)C#C

 

Thermal Properties Value Condition Note
Melting Point 129.3-129.4 °C   (1)CAS

Specification

98%
References
  1. (1) Tung, Yen-Shih; Journal of Medicinal Chemistry 2011, V54(8), P3076-3080 CAPLUS
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