Ethyl 2-(4-methylimidazol-1-yl)acetate - CAS 6338-47-2
Catalog: |
BB056063 |
Product Name: |
Ethyl 2-(4-methylimidazol-1-yl)acetate |
CAS: |
6338-47-2 |
Synonyms: |
ethyl 2-(4-methylimidazol-1-yl)acetate;ethyl 4-methylimidazol-1-ylacetate |
IUPAC Name: | ethyl 2-(4-methylimidazol-1-yl)acetate |
Description: | Ethyl 2-(4-methylimidazol-1-yl)acetate |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CCOC(=O)CN1C=C(N=C1)C |
InChI: | InChI=1S/C8H12N2O2/c1-3-12-8(11)5-10-4-7(2)9-6-10/h4,6H,3,5H2,1-2H3 |
InChI Key: | PDRSVDAPBJIQNT-UHFFFAOYSA-N |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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