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62365-78-0 | 3-Ethynyl-1H-indole
CAS No: 62365-78-0 Catalog No: AG003JEU MDL No:MFCD00463781
Product Description
Catalog Number:
AG003JEU
Chemical Name:
3-Ethynyl-1H-indole
CAS Number:
62365-78-0
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
MDL Number:
MFCD00463781
IUPAC Name:
3-ethynyl-1H-indole
InChI:
InChI=1S/C10H7N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h1,3-7,11H
InChI Key:
UJJFTIBNCODKOS-UHFFFAOYSA-N
SMILES:
C#Cc1c[nH]c2c1cccc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.173g/mol
Monoisotopic Mass:
141.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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