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Home Other Building Blocks 5-Ethynyl-benzo[1,3]dioxole

5-Ethynyl-benzo[1,3]dioxole

CAS No.:
57134-53-9
Catalog Number:
AG00EIXM
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%(HPLC)
In Stock USA
United States
$853
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Product Description
Catalog Number:
AG00EIXM
Chemical Name:
5-Ethynyl-benzo[1,3]dioxole
CAS Number:
57134-53-9
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
MDL Number:
MFCD07777106
IUPAC Name:
5-ethynyl-1,3-benzodioxole
InChI:
InChI=1S/C9H6O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-5H,6H2
InChI Key:
XMXCRJLWEKHZAV-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)OCO2
EC Number:
260-583-4
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.037g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.145g/mol
Monoisotopic Mass:
146.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
5-(1H-Inden-2-yl)-1,3-benzodioxole. Acta crystallographica. Section E, Structure reports online 20080201
Synthesis and antifeeding activities of Tonghaosu analogues. Journal of agricultural and food chemistry 20041103
4-Ethynyl-1,2-methylenedioxybenzene at 150 K. Acta crystallographica. Section C, Crystal structure communications 20010401
Properties