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57362-82-0 | Methyl 1-methyl-1H-1,2,3-triazole-4-carboxylate
CAS No: 57362-82-0 Catalog No: AG003RKL MDL No:MFCD16495897
Product Description
Catalog Number:
AG003RKL
Chemical Name:
Methyl 1-methyl-1H-1,2,3-triazole-4-carboxylate
CAS Number:
57362-82-0
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD16495897
IUPAC Name:
methyl 1-methyltriazole-4-carboxylate
InChI:
InChI=1S/C5H7N3O2/c1-8-3-4(6-7-8)5(9)10-2/h3H,1-2H3
InChI Key:
MHGDTEULYQGOEU-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnn(c1)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20100601 |
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