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86520-97-0 | 3-Ethynylisoquinoline
CAS No: 86520-97-0 Catalog No: AG008FT1 MDL No:MFCD18802534
Product Description
Catalog Number:
AG008FT1
Chemical Name:
3-Ethynylisoquinoline
CAS Number:
86520-97-0
Molecular Formula:
C11H7N
Molecular Weight:
153.1800
MDL Number:
MFCD18802534
IUPAC Name:
3-ethynylisoquinoline
InChI:
InChI=1S/C11H7N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h1,3-8H
InChI Key:
QORFAVRMLCVVPW-UHFFFAOYSA-N
SMILES:
C#Cc1ncc2c(c1)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:
2.6
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