2-(1-methyl-1H-1,2,4-triazol-5-yl)acetic acid - CAS 1248789-39-0
Catalog: |
BB006011 |
Product Name: |
2-(1-methyl-1H-1,2,4-triazol-5-yl)acetic acid |
CAS: |
1248789-39-0 |
Synonyms: |
2-(2-methyl-1,2,4-triazol-3-yl)acetic acid; 2-(2-methyl-1,2,4-triazol-3-yl)acetic acid |
IUPAC Name: | 2-(2-methyl-1,2,4-triazol-3-yl)acetic acid |
Description: | 2-(1-methyl-1H-1,2,4-triazol-5-yl)acetic acid (CAS# 1248789-39-0 ) is a useful research chemical. |
Molecular Weight: | 141.13 |
Molecular Formula: | C5H7N3O2 |
Canonical SMILES: | CN1C(=NC=N1)CC(=O)O |
InChI: | InChI=1S/C5H7N3O2/c1-8-4(2-5(9)10)6-3-7-8/h3H,2H2,1H3,(H,9,10) |
InChI Key: | FEHVWPPTUKNGON-UHFFFAOYSA-N |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.053826475 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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