Ethyl 2-methylpyrimidine-5-carboxylate - CAS 2134-38-5
Catalog: |
BB046708 |
Product Name: |
Ethyl 2-methylpyrimidine-5-carboxylate |
CAS: |
2134-38-5 |
Synonyms: |
5-Pyrimidinecarboxylic acid, 2-methyl-, ethyl ester; 2-Methylpyrimidine-5-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 2-methylpyrimidine-5-carboxylate |
Description: | Ethyl 2-methylpyrimidine-5-carboxylate (CAS# 2134-38-5 ) is a useful research chemical. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1)C |
InChI: | InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-9-6(2)10-5-7/h4-5H,3H2,1-2H3 |
InChI Key: | OTCUHRIIVIPBID-UHFFFAOYSA-N |
Boiling Point: | 239.8±13.0 °C at 760 mmHg |
Purity: | ≥ 94 % |
Density: | 1.13 g/cm3 |
MDL: | MFCD09863191 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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