Home Other Building Blocks 3-ethynyl-1-methyl-1H-pyrazole

3-ethynyl-1-methyl-1H-pyrazole

CAS No.:
61514-59-8
Catalog Number:
AG01BFNR
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
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Product Description
Catalog Number:
AG01BFNR
Chemical Name:
3-ethynyl-1-methyl-1H-pyrazole
CAS Number:
61514-59-8
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
MDL Number:
MFCD23767398
IUPAC Name:
3-ethynyl-1-methylpyrazole
InChI:
InChI=1S/C6H6N2/c1-3-6-4-5-8(2)7-6/h1,4-5H,2H3
InChI Key:
GMCPKTQIHQISHX-UHFFFAOYSA-N
SMILES:
Cn1ccc(n1)C#C
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties