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1H-Tetrazole, 5,5'-(1,3-propanediyl)bis-

Catalog Number
ACM26670177-2
Product Name
1H-Tetrazole, 5,5'-(1,3-propanediyl)bis-
CAS
26670-17-7
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
Synonyms
1,3-Di(tetrazol-5-yl)propane
IUPAC Name
5-[3-(2H-tetrazol-5-yl)propyl]-2H-tetrazole
Molecular Weight
180.17
Molecular Formula
C5H8N8
InChI
InChI=1S/C5H8N8/c1(2-4-6-10-11-7-4)3-5-8-12-13-9-5/h1-3H2,(H,6,7,10,11)(H,8,9,12,13)
InChI Key
ZSDFUHKAFFDSKW-UHFFFAOYSA-N
Purity
98%
Complexity
136
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
180.08719229g/mol
Formal Charge
0
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
180.08719229g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
109Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.3
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