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128979-26-0 | Ethanone, 1-(1-methyl-1H-1,2,3-triazol-4-yl)-
CAS No: 128979-26-0 Catalog No: AG000YQ6 MDL No:MFCD18829131
Product Description
Catalog Number:
AG000YQ6
Chemical Name:
Ethanone, 1-(1-methyl-1H-1,2,3-triazol-4-yl)-
CAS Number:
128979-26-0
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD18829131
IUPAC Name:
1-(1-methyltriazol-4-yl)ethanone
InChI:
InChI=1S/C5H7N3O/c1-4(9)5-3-8(2)7-6-5/h3H,1-2H3
InChI Key:
CXWKYVZGMHELSR-UHFFFAOYSA-N
SMILES:
Cn1nnc(c1)C(=O)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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