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90298-76-3

90298-76-3 | [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1,4-dihydro-4-oxo-

CAS No: 90298-76-3 Catalog No: AG006G0G MDL No:

Product Description

Catalog Number:
AG006G0G
Chemical Name:
[1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1,4-dihydro-4-oxo-
CAS Number:
90298-76-3
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
IUPAC Name:
4-oxo-1H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
InChI:
InChI=1S/C10H6N2O5/c13-9-4-1-6-7(17-3-16-6)2-5(4)11-12-8(9)10(14)15/h1-2H,3H2,(H,11,13)(H,14,15)
InChI Key:
FDQOQXYETMDXMO-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c(c1=O)cc1c(c2)OCO1

Properties

Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.028g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.167g/mol
Monoisotopic Mass:
234.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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