1-benzyl-1H-pyrazol-4-ol


Chemical Name: 1-benzyl-1H-pyrazol-4-ol
CAS Number: 226989-35-1
Product Number: AG00BGWX(AGN-PC-0WO9C1)
Synonyms:
MDL No: MFCD23110926
Molecular Formula: C10H10N2O
Molecular Weight: 174.1992

Identification/Properties


Computed Properties
Molecular Weight:
174.203g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
174.079g/mol
Monoisotopic Mass:
174.079g/mol
Topological Polar Surface Area:
38A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
157
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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