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189131-28-0 | 5H,7H-6-Oxa-2,3,4a,7a-tetraazacyclopent[cd]indene (9CI)
CAS No: 189131-28-0 Catalog No: AG002HXK MDL No:
Product Description
Catalog Number:
AG002HXK
Chemical Name:
5H,7H-6-Oxa-2,3,4a,7a-tetraazacyclopent[cd]indene (9CI)
CAS Number:
189131-28-0
Molecular Formula:
C6H6N4O
Molecular Weight:
150.1380
IUPAC Name:
9-oxa-1,3,5,7-tetrazatricyclo[5.3.1.04,11]undeca-2,4(11),5-triene
InChI:
InChI=1S/C6H6N4O/c1-7-5-6-9(1)3-11-4-10(6)2-8-5/h1-2H,3-4H2
InChI Key:
INFABCSNUGSUGQ-UHFFFAOYSA-N
SMILES:
O1Cn2cnc3c2n(C1)cn3
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.141g/mol
Monoisotopic Mass:
150.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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