2H-Tetrazole-5-ethanol


Chemical Name: 2H-Tetrazole-5-ethanol
CAS Number: 17587-08-5
Product Number: AG00218Y(AGN-PC-0JP803)
Synonyms:
MDL No: MFCD03856019
Molecular Formula: C3H6N4O
Molecular Weight: 114.1059

Identification/Properties


Computed Properties
Molecular Weight:
114.108g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
114.054g/mol
Monoisotopic Mass:
114.054g/mol
Topological Polar Surface Area:
74.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
68.3
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

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NMR Spectrum


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