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92560-76-4 | 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde
CAS No: 92560-76-4 Catalog No: AG01EZAU MDL No:
Product Description
Catalog Number:
AG01EZAU
Chemical Name:
9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde
CAS Number:
92560-76-4
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
IUPAC Name:
9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carbaldehyde
InChI:
InChI=1S/C11H7N3O2/c15-6-7-5-12-14-10(7)13-9-4-2-1-3-8(9)11(14)16/h1-6,12H
InChI Key:
GXDMCUOKZICWEO-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]n2c1nc1ccccc1c2=O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.196g/mol
Monoisotopic Mass:
213.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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