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115400-20-9 | 1H-Tetrazole, 5,5'-(1,2-diazenediyl)bis[1-methyl-, hydrate (1:1)
CAS No: 115400-20-9 Catalog No: AG000FYB MDL No:
Product Description
Catalog Number:
AG000FYB
Chemical Name:
1H-Tetrazole, 5,5'-(1,2-diazenediyl)bis[1-methyl-, hydrate (1:1)
CAS Number:
115400-20-9
Molecular Formula:
C4H8N10O
Molecular Weight:
212.1727
IUPAC Name:
bis(1-methyltetrazol-5-yl)diazene;hydrate
InChI:
InChI=1S/C4H6N10.H2O/c1-13-3(7-9-11-13)5-6-4-8-10-12-14(4)2;/h1-2H3;1H2
InChI Key:
SFVAJKLHBZWYCL-UHFFFAOYSA-N
SMILES:
Cn1nnnc1N=Nc1nnnn1C.O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.177g/mol
Monoisotopic Mass:
212.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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