2-(4-ethyl-2-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetic acid - CAS 1710833-98-9
Catalog: |
BB012710 |
Product Name: |
2-(4-ethyl-2-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetic acid |
CAS: |
1710833-98-9 |
Synonyms: |
2-(4-ethyl-2-methyl-6-oxo-1-pyrimidinyl)acetic acid; 2-(4-ethyl-2-methyl-6-oxopyrimidin-1-yl)acetic acid |
IUPAC Name: | 2-(4-ethyl-2-methyl-6-oxopyrimidin-1-yl)acetic acid |
Description: | 2-(4-ethyl-2-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetic acid (CAS# 1710833-98-9 ) is a useful research chemical. |
Molecular Weight: | 196.206 |
Molecular Formula: | C9H12N2O3 |
Canonical SMILES: | CCC1=CC(=O)N(C(=N1)C)CC(=O)O |
InChI: | InChI=1S/C9H12N2O3/c1-3-7-4-8(12)11(5-9(13)14)6(2)10-7/h4H,3,5H2,1-2H3,(H,13,14) |
InChI Key: | JYWKBJGNZZKOLD-UHFFFAOYSA-N |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.08479225 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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