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176245-18-4 | 2,7-Diazatricyclo[6.2.0.03,6]deca-3(6),8(1)-diene-4,5,9,10-tetrone
CAS No: 176245-18-4 Catalog No: AG0024IO MDL No:
Product Description
Catalog Number:
AG0024IO
Chemical Name:
2,7-Diazatricyclo[6.2.0.03,6]deca-3(6),8(1)-diene-4,5,9,10-tetrone
CAS Number:
176245-18-4
Molecular Formula:
C8H2N2O4
Molecular Weight:
190.1125
IUPAC Name:
9,10-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]deca-1,3(6),7,9-tetraene-4,5-dione
InChI:
InChI=1S/C8H2N2O4/c11-5-1-2(6(5)12)10-4-3(9-1)7(13)8(4)14/h11-12H
InChI Key:
IBZUNZIBKJZAII-UHFFFAOYSA-N
SMILES:
O=c1c(=O)c2c1[nH]c1c([nH]2)c(=O)c1=O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.114g/mol
Monoisotopic Mass:
190.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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