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78593-41-6 | 6-Ethynylquinoline
CAS No: 78593-41-6 Catalog No: AG008MGU MDL No:MFCD13189810
Product Description
Catalog Number:
AG008MGU
Chemical Name:
6-Ethynylquinoline
CAS Number:
78593-41-6
Molecular Formula:
C11H7N
Molecular Weight:
153.1800
MDL Number:
MFCD13189810
IUPAC Name:
6-ethynylquinoline
InChI:
InChI=1S/C11H7N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h1,3-8H
InChI Key:
JAZYPFZGQWBPLI-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)cccn2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.184g/mol
Monoisotopic Mass:
153.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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