2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid - CAS 1823782-28-0
Catalog: |
BB013950 |
Product Name: |
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid |
CAS: |
1823782-28-0 |
Synonyms: |
2-(2-propan-2-yl-4-triazolyl)acetic acid; 2-(2-propan-2-yltriazol-4-yl)acetic acid |
IUPAC Name: | 2-(2-propan-2-yltriazol-4-yl)acetic acid |
Description: | 2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid (CAS# 1823782-28-0 ) is a useful research chemical. |
Molecular Weight: | 169.184 |
Molecular Formula: | C7H11N3O2 |
Canonical SMILES: | CC(C)N1N=CC(=N1)CC(=O)O |
InChI: | InChI=1S/C7H11N3O2/c1-5(2)10-8-4-6(9-10)3-7(11)12/h4-5H,3H2,1-2H3,(H,11,12) |
InChI Key: | OJGQPDRJMYJRQH-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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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