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19762-15-3 | 1H-Pyrazole, 5-ethynyl-1-methyl-
CAS No: 19762-15-3 Catalog No: AG002AX9 MDL No:MFCD19620898
Product Description
Catalog Number:
AG002AX9
Chemical Name:
1H-Pyrazole, 5-ethynyl-1-methyl-
CAS Number:
19762-15-3
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
MDL Number:
MFCD19620898
IUPAC Name:
5-ethynyl-1-methylpyrazole
InChI:
InChI=1S/C6H6N2/c1-3-6-4-5-7-8(6)2/h1,4-5H,2H3
InChI Key:
GRYDLSPDPNGPBB-UHFFFAOYSA-N
SMILES:
Cn1nccc1C#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
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