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16421-52-6 | 5H-Tetrazol-5-one, 1,2-dihydro-
CAS No: 16421-52-6 Catalog No: AG001UPL MDL No:
Product Description
Catalog Number:
AG001UPL
Chemical Name:
5H-Tetrazol-5-one, 1,2-dihydro-
CAS Number:
16421-52-6
Molecular Formula:
CH2N4O
Molecular Weight:
86.0528
IUPAC Name:
1,4-dihydrotetrazol-5-one
InChI:
InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)
InChI Key:
JXBKZAYVMSNKHA-UHFFFAOYSA-N
SMILES:
O=c1nn[nH][nH]1
NSC Number:
338114
Properties
Complexity:
85.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.023g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
86.054g/mol
Monoisotopic Mass:
86.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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