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119520-43-3 | Quinoline, 3-isocyano-
CAS No: 119520-43-3 Catalog No: AG000IWS MDL No:
Product Description
Catalog Number:
AG000IWS
Chemical Name:
Quinoline, 3-isocyano-
CAS Number:
119520-43-3
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
IUPAC Name:
3-isocyanoquinoline
InChI:
InChI=1S/C10H6N2/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2-7H
InChI Key:
YNKNSBYQYPIAKU-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1cnc2c(c1)cccc2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.172g/mol
Monoisotopic Mass:
154.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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