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749902-49-6 | 5-Oxa-2a,6,7-triazaacenaphthylene(9CI)
CAS No: 749902-49-6 Catalog No: AG005F02 MDL No:
Product Description
Catalog Number:
AG005F02
Chemical Name:
5-Oxa-2a,6,7-triazaacenaphthylene(9CI)
CAS Number:
749902-49-6
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
9-oxa-1,6,7-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),10-pentaene
InChI:
InChI=1S/C8H5N3O/c1-2-11-3-4-12-8-7(11)6(1)5-9-10-8/h1-5H
InChI Key:
KUYLSXQXWPFKJV-UHFFFAOYSA-N
SMILES:
n1cc2ccn3c2c(n1)occ3
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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