1H-Pyrazole-4-methanol, 1-methyl-


Chemical Name: 1H-Pyrazole-4-methanol, 1-methyl-
CAS Number: 112029-98-8
Product Number: AG008U8L(AGN-PC-00ITJA)
Synonyms:
MDL No: MFCD01822311
Molecular Formula: C5H8N2O
Molecular Weight: 112.1298

Identification/Properties


Computed Properties
Molecular Weight:
112.132g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
112.064g/mol
Monoisotopic Mass:
112.064g/mol
Topological Polar Surface Area:
38A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
76.8
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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