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40176-78-1 | 2-ETHYNYL-QUINOLINE
CAS No: 40176-78-1 Catalog No: AG00C6TP MDL No:MFCD08703585
Product Description
Catalog Number:
AG00C6TP
Chemical Name:
2-ETHYNYL-QUINOLINE
CAS Number:
40176-78-1
Molecular Formula:
C11H7N
Molecular Weight:
153.1800
MDL Number:
MFCD08703585
IUPAC Name:
2-ethynylquinoline
InChI:
InChI=1S/C11H7N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h1,3-8H
InChI Key:
KLJNCYLWOJPRSX-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(n1)cccc2
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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