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73096-39-6 | 3-(1H-Tetrazol-5-yl)benzoic Acid
CAS No: 73096-39-6 Catalog No: AG003HZH MDL No:MFCD03821131
Product Description
Catalog Number:
AG003HZH
Chemical Name:
3-(1H-Tetrazol-5-yl)benzoic Acid
CAS Number:
73096-39-6
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD03821131
IUPAC Name:
3-(2H-tetrazol-5-yl)benzoic acid
InChI:
InChI=1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChI Key:
MIERACSHCALJOM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1nnn[nH]1
NSC Number:
338094
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies. | Inorganic chemistry 20090420 |
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