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Home > Nitro Compounds > 113982-74-4
113982-74-4 | 1,3-Dioxolo[4,5-g]isoquinolin-7(6H)-one, 8-nitro-
CAS No: 113982-74-4 Catalog No: AG000A8K MDL No:
Product Description
Catalog Number:
AG000A8K
Chemical Name:
1,3-Dioxolo[4,5-g]isoquinolin-7(6H)-one, 8-nitro-
CAS Number:
113982-74-4
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
IUPAC Name:
8-nitro-6H-[1,3]dioxolo[4,5-g]isoquinolin-7-one
InChI:
InChI=1S/C10H6N2O5/c13-10-9(12(14)15)6-2-8-7(16-4-17-8)1-5(6)3-11-10/h1-3H,4H2,(H,11,13)
InChI Key:
WPYGIECZUJSLDY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(=O)[nH]cc2c1cc1OCOc1c2
Properties
Complexity:
562
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.167g/mol
Monoisotopic Mass:
234.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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