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102072-81-1 | 6-Isoquinolinecarbonitrile, 5,8-dihydro-7-hydroxy-5,8-dioxo-
CAS No: 102072-81-1 Catalog No: AG0006KL MDL No:
Product Description
Catalog Number:
AG0006KL
Chemical Name:
6-Isoquinolinecarbonitrile, 5,8-dihydro-7-hydroxy-5,8-dioxo-
CAS Number:
102072-81-1
Molecular Formula:
C10H4N2O3
Molecular Weight:
200.1504
IUPAC Name:
5-hydroxy-7,8-dioxoisoquinoline-6-carbonitrile
InChI:
InChI=1S/C10H4N2O3/c11-3-6-8(13)5-1-2-12-4-7(5)10(15)9(6)14/h1-2,4,13H
InChI Key:
ZPHJVKARMANJIT-UHFFFAOYSA-N
SMILES:
N#CC1=C(O)C(=O)c2c(C1=O)ccnc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.153g/mol
Monoisotopic Mass:
200.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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