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100949-04-0 | 5-Cinnolinol
CAS No: 100949-04-0 Catalog No: AG00039W MDL No:
Product Description
Catalog Number:
AG00039W
Chemical Name:
5-Cinnolinol
CAS Number:
100949-04-0
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
cinnolin-5-ol
InChI:
InChI=1S/C8H6N2O/c11-8-3-1-2-7-6(8)4-5-9-10-7/h1-5,11H
InChI Key:
ZZVUPNFZGYTAAN-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1ccnn2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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