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Home > Indoles and Oxindole > 918866-69-0
918866-69-0 | 1H-Indole, 5-[[3-(2-thienyl)-2-propyn-1-yl]oxy]-
CAS No: 918866-69-0 Catalog No: AG006B7B MDL No:
Product Description
Catalog Number:
AG006B7B
Chemical Name:
1H-Indole, 5-[[3-(2-thienyl)-2-propyn-1-yl]oxy]-
CAS Number:
918866-69-0
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
IUPAC Name:
5-(3-thiophen-2-ylprop-2-ynoxy)-1H-indole
InChI:
InChI=1S/C15H11NOS/c1(3-14-4-2-10-18-14)9-17-13-5-6-15-12(11-13)7-8-16-15/h2,4-8,10-11,16H,9H2
InChI Key:
LHQNDXZWNMNJJW-UHFFFAOYSA-N
SMILES:
C(Oc1ccc2c(c1)cc[nH]2)C#Cc1cccs1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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