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25108-33-2 | 1H-Tetrazole, 1-ethyl-
CAS No: 25108-33-2 Catalog No: AG002QI1 MDL No:
Product Description
Catalog Number:
AG002QI1
Chemical Name:
1H-Tetrazole, 1-ethyl-
CAS Number:
25108-33-2
Molecular Formula:
C3H6N4
Molecular Weight:
98.1065
IUPAC Name:
1-ethyltetrazole
InChI:
InChI=1S/C3H6N4/c1-2-7-3-4-5-6-7/h3H,2H2,1H3
InChI Key:
PZDFYVBXRWSAON-UHFFFAOYSA-N
SMILES:
CCn1cnnn1
Properties
Complexity:
54.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.059g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.109g/mol
Monoisotopic Mass:
98.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| catena-Poly[[bis-[1-(2-hydroxy-ethyl)-1H-tetra-zole-κN]copper(II)]-di-μ-chlorido]: a powder study. | Acta crystallographica. Section E, Structure reports online 20080801 |
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