Acetic acid, [3-(1H-tetrazol-1-yl)phenoxy]-


Chemical Name: Acetic acid, [3-(1H-tetrazol-1-yl)phenoxy]-
CAS Number: 462067-31-8
Product Number: AG00DAUA(AGN-PC-0JX83Z)
Synonyms:
MDL No: MFCD02598026
Molecular Formula: C9H8N4O3
Molecular Weight: 220.1848

Identification/Properties


Computed Properties
Molecular Weight:
220.188g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
220.06g/mol
Monoisotopic Mass:
220.06g/mol
Topological Polar Surface Area:
90.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
251
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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