3-methyl-2-(1H-1,2,4-triazol-1-yl)butanoic acid - CAS 1016503-66-4
Catalog: |
BB000578 |
Product Name: |
3-methyl-2-(1H-1,2,4-triazol-1-yl)butanoic acid |
CAS: |
1016503-66-4 |
Synonyms: |
3-methyl-2-(1,2,4-triazol-1-yl)butanoic acid; 3-methyl-2-(1,2,4-triazol-1-yl)butanoic acid |
IUPAC Name: | 3-methyl-2-(1,2,4-triazol-1-yl)butanoic acid |
Description: | 3-methyl-2-(1H-1,2,4-triazol-1-yl)butanoic acid (CAS# 1016503-66-4) is a useful research chemical. |
Molecular Weight: | 169.184 |
Molecular Formula: | C7H11N3O2 |
Canonical SMILES: | CC(C)C(C(=O)O)N1C=NC=N1 |
InChI: | InChI=1S/C7H11N3O2/c1-5(2)6(7(11)12)10-4-8-3-9-10/h3-6H,1-2H3,(H,11,12) |
InChI Key: | LYDYKIXOBKOZQQ-UHFFFAOYSA-N |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.085126602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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