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113444-42-1 | 4H-1,2,4-Triazole, 4-ethenyl-3-methyl-
CAS No: 113444-42-1 Catalog No: AG0008M7 MDL No:
Product Description
Catalog Number:
AG0008M7
Chemical Name:
4H-1,2,4-Triazole, 4-ethenyl-3-methyl-
CAS Number:
113444-42-1
Molecular Formula:
C5H7N3
Molecular Weight:
109.1292
IUPAC Name:
4-ethenyl-3-methyl-1,2,4-triazole
InChI:
InChI=1S/C5H7N3/c1-3-8-4-6-7-5(8)2/h3-4H,1H2,2H3
InChI Key:
OAVQVBUXSHAVRE-UHFFFAOYSA-N
SMILES:
C=Cn1cnnc1C
Properties
Complexity:
91.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.132g/mol
Monoisotopic Mass:
109.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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