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478303-70-7 | 2,4,7-TRIAZABICYCLO[4.1.0]HEPTA-2,4,7-TRIENE
CAS No: 478303-70-7 Catalog No: AG006YY1 MDL No:
Product Description
Catalog Number:
AG006YY1
Chemical Name:
2,4,7-TRIAZABICYCLO[4.1.0]HEPTA-2,4,7-TRIENE
CAS Number:
478303-70-7
Molecular Formula:
C4H3N3
Molecular Weight:
93.0867
IUPAC Name:
2,4,7-triazabicyclo[4.1.0]hepta-1(7),2,4-triene
InChI:
InChI=1S/C4H3N3/c1-3-4(7-3)6-2-5-1/h1-3H
InChI Key:
URKFZLAJYCKURQ-UHFFFAOYSA-N
SMILES:
N1=CC2C(=N2)N=C1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
93.033g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
93.089g/mol
Monoisotopic Mass:
93.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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