1H-Pyrazole, 4-ethynyl-1-methyl-


Chemical Name: 1H-Pyrazole, 4-ethynyl-1-methyl-
CAS Number: 39806-89-8
Product Number: AG00CMAU(AGN-PC-08ZTP4)
Synonyms:
MDL No:
Molecular Formula: C6H6N2
Molecular Weight: 106.1252

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
106.128g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
106.053g/mol
Monoisotopic Mass:
106.053g/mol
Topological Polar Surface Area:
17.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
122
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-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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