Ethyl 3-(Pyrimidin-2-yl)propanoate - CAS 459818-76-9
Catalog: |
BB066247 |
Product Name: |
Ethyl 3-(Pyrimidin-2-yl)propanoate |
CAS: |
459818-76-9 |
Synonyms: |
Ethyl 3-(pyrimidin-2-yl)propanoate; ethyl 3-pyrimidin-2-ylpropanoate; 2-PYRIMIDINEPROPANOIC ACID ETHYL ESTER; Ethyl3-(pyrimidin-2-yl)propanoate |
IUPAC Name: | ethyl 3-pyrimidin-2-ylpropanoate |
Molecular Weight: | 180.21 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | CCOC(=O)CCC1=NC=CC=N1 |
InChI: | InChI=1S/C9H12N2O2/c1-2-13-9(12)5-4-8-10-6-3-7-11-8/h3,6-7H,2,4-5H2,1H3 |
InChI Key: | XZMZHLGLBXLEPY-UHFFFAOYSA-N |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.08987763 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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