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86520-96-9 | 1-Ethynylisoquinoline
CAS No: 86520-96-9 Catalog No: AG0036CG MDL No:MFCD16659652
Product Description
Catalog Number:
AG0036CG
Chemical Name:
1-Ethynylisoquinoline
CAS Number:
86520-96-9
Molecular Formula:
C11H7N
Molecular Weight:
153.1800
MDL Number:
MFCD16659652
IUPAC Name:
1-ethynylisoquinoline
InChI:
InChI=1S/C11H7N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h1,3-8H
InChI Key:
PTRWXSTUHSTRHM-UHFFFAOYSA-N
SMILES:
C#Cc1nccc2c1cccc2
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:
2.4
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