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28657-76-3 | [1,3]dioxolo[4,5-g]cinnolin-4-ol
CAS No: 28657-76-3 Catalog No: AG002W0Q MDL No:
Product Description
Catalog Number:
AG002W0Q
Chemical Name:
[1,3]dioxolo[4,5-g]cinnolin-4-ol
CAS Number:
28657-76-3
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
IUPAC Name:
1H-[1,3]dioxolo[4,5-g]cinnolin-4-one
InChI:
InChI=1S/C9H6N2O3/c12-7-3-10-11-6-2-9-8(1-5(6)7)13-4-14-9/h1-3H,4H2,(H,11,12)
InChI Key:
JYLILOXPNNBOBA-UHFFFAOYSA-N
SMILES:
Oc1cnnc2c1cc1OCOc1c2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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