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116421-35-3

116421-35-3 | 1H-Pentazole, hydrate (1:5)

CAS No: 116421-35-3 Catalog No: AG000CGR MDL No:

Product Description

Catalog Number:
AG000CGR
Chemical Name:
1H-Pentazole, hydrate (1:5)
CAS Number:
116421-35-3
Molecular Formula:
H11N5O5
Molecular Weight:
161.1178
IUPAC Name:
1H-pentazole;pentahydrate
InChI:
InChI=1S/HN5.5H2O/c1-2-4-5-3-1;;;;;/h(H,1,2,3,4,5);5*1H2
InChI Key:
ANPIKVMLBWKEQB-UHFFFAOYSA-N
SMILES:
n1nnn[nH]1.O.O.O.O.O

Properties

Complexity:
19.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.076g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
161.118g/mol
Monoisotopic Mass:
161.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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