| CAS Number | 224776-16-3 |
| Catalog Number | AG01BBUZ(AGN-PC-0WOHIR) |
| Chemical Name | Methyl 3-(Pyrimidin-5-Yl)Propanoate |
| IUPAC Name | methyl 3-pyrimidin-5-ylpropanoate |
| InChI | InChI=1S/C8H10N2O2/c1-12-8(11)3-2-7-4-9-6-10-5-7/h4-6H,2-3H2,1H3 |
| InChI Key | IETPBWLTYJTNJG-UHFFFAOYSA-N |
| MDL Number | MFCD22572926 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | O=C(OC)CCC1=CN=CN=C1 |
| Synonyms | Methyl 3-(pyrimidin-5-yl)propanoate,
224776-16-3,
SCHEMBL7013456,
IETPBWLTYJTNJG-UHFFFAOYSA-N,
methyl 3-(5-pyrimidyl)propionate,
Methyl 3-(5-pyrimidinyl)propanoate,
MFCD22572926,
ZINC83749476,
AKOS024461922,
MCULE-3628429966,
5-Pyrimidinepropanoic acid, methyl ester,
NS-01335,
FT-0755491,
X7986,
Z2177153630,
C8H10N2O2,
5-Pyrimidinepropanoic acid methyl ester,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number