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80904-16-1 | 1H-1,2,4-Triazole, 1-ethenyl-5-methyl-
CAS No: 80904-16-1 Catalog No: AG0056XR MDL No:
Product Description
Catalog Number:
AG0056XR
Chemical Name:
1H-1,2,4-Triazole, 1-ethenyl-5-methyl-
CAS Number:
80904-16-1
Molecular Formula:
C5H7N3
Molecular Weight:
109.1292
IUPAC Name:
1-ethenyl-5-methyl-1,2,4-triazole
InChI:
InChI=1S/C5H7N3/c1-3-8-5(2)6-4-7-8/h3-4H,1H2,2H3
InChI Key:
AYUCRRZCDOKDFQ-UHFFFAOYSA-N
SMILES:
Cc1ncnn1C=C
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:
1
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