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261-06-3 | Pyrimido[5,4-b]quinoline
CAS No: 261-06-3 Catalog No: AG002RO0 MDL No:
Product Description
Catalog Number:
AG002RO0
Chemical Name:
Pyrimido[5,4-b]quinoline
CAS Number:
261-06-3
Molecular Formula:
C11H7N3
Molecular Weight:
181.1934
IUPAC Name:
pyrimido[5,4-b]quinoline
InChI:
InChI=1S/C11H7N3/c1-2-4-9-8(3-1)5-10-11(14-9)6-12-7-13-10/h1-7H
InChI Key:
BREADKIWRGJCQJ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc1c(c2)ncnc1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.198g/mol
Monoisotopic Mass:
181.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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