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102301-81-5 | 1H-Indole, 4-ethynyl-
CAS No: 102301-81-5 Catalog No: AG00076J MDL No:MFCD18207357
Product Description
Catalog Number:
AG00076J
Chemical Name:
1H-Indole, 4-ethynyl-
CAS Number:
102301-81-5
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
MDL Number:
MFCD18207357
IUPAC Name:
4-ethynyl-1H-indole
InChI:
InChI=1S/C10H7N/c1-2-8-4-3-5-10-9(8)6-7-11-10/h1,3-7,11H
InChI Key:
HGHQEOJJLFYMIV-UHFFFAOYSA-N
SMILES:
C#Cc1cccc2c1cc[nH]2
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:
2.3
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