3-(1H-Pyrazol-1-yl)propane-1,2-diol


Chemical Name: 3-(1H-Pyrazol-1-yl)propane-1,2-diol
CAS Number: 98484-49-2
Product Number: AG00IK3V(AGN-PC-0WAMD7)
Synonyms:
MDL No: MFCD11846459
Molecular Formula: C6H10N2O2
Molecular Weight: 142.1558

Identification/Properties


Computed Properties
Molecular Weight:
142.158g/mol
XLogP3:
-1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
142.074g/mol
Monoisotopic Mass:
142.074g/mol
Topological Polar Surface Area:
58.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
99.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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