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125707-89-3 | 2H-Tetrazole-2-acetonitrile, 5-amino-
CAS No: 125707-89-3 Catalog No: AG000OIY MDL No:
Product Description
Catalog Number:
AG000OIY
Chemical Name:
2H-Tetrazole-2-acetonitrile, 5-amino-
CAS Number:
125707-89-3
Molecular Formula:
C3H4N6
Molecular Weight:
124.1041
IUPAC Name:
2-(5-aminotetrazol-2-yl)acetonitrile
InChI:
InChI=1S/C3H4N6/c4-1-2-9-7-3(5)6-8-9/h2H2,(H2,5,7)
InChI Key:
MEQTVQVAFGUQRU-UHFFFAOYSA-N
SMILES:
N#CCn1nnc(n1)N
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.107g/mol
Monoisotopic Mass:
124.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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