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827040-93-7 | 3H,6H-7-Oxa-2a,5-diazaacenaphthylene(9CI)
CAS No: 827040-93-7 Catalog No: AG0050V3 MDL No:
Product Description
Catalog Number:
AG0050V3
Chemical Name:
3H,6H-7-Oxa-2a,5-diazaacenaphthylene(9CI)
CAS Number:
827040-93-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
6-oxa-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),9-tetraene
InChI:
InChI=1S/C9H8N2O/c1-3-11-4-2-10-8-6-12-5-7(1)9(8)11/h1-3,5H,4,6H2
InChI Key:
MDJVVYGWIIAYAJ-UHFFFAOYSA-N
SMILES:
O1C=c2ccn3c2=C(C1)N=CC3
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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