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1015070-57-1 | Isoquinoline, 6-ethynyl-
CAS No: 1015070-57-1 Catalog No: AG0004NB MDL No:MFCD12406191
Product Description
Catalog Number:
AG0004NB
Chemical Name:
Isoquinoline, 6-ethynyl-
CAS Number:
1015070-57-1
Molecular Formula:
C11H7N
Molecular Weight:
153.1800
MDL Number:
MFCD12406191
IUPAC Name:
6-ethynylisoquinoline
InChI:
InChI=1S/C11H7N/c1-2-9-3-4-11-8-12-6-5-10(11)7-9/h1,3-8H
InChI Key:
ULAVHAJIBKHAPF-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)ccnc2
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:
2.3
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