4-Methyl-5-pyrimidinecarboxylic acid - CAS 157335-92-7
Catalog: |
BB011311 |
Product Name: |
4-Methyl-5-pyrimidinecarboxylic acid |
CAS: |
157335-92-7 |
Synonyms: |
4-methylpyrimidine-5-carboxylic acid |
IUPAC Name: | 4-methylpyrimidine-5-carboxylic acid |
Description: | 4-Methyl-5-pyrimidinecarboxylic acid (CAS# 157335-92-7) is used as a reagent to prepare bis(pyrimidin-5-yl)methanes, compounds that exhibit herbicidal activity towards unwanted weeds in crop fields. |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Canonical SMILES: | CC1=NC=NC=C1C(=O)O |
InChI: | InChI=1S/C6H6N2O2/c1-4-5(6(9)10)2-7-3-8-4/h2-3H,1H3,(H,9,10) |
InChI Key: | MGRYVXAAUYHOSI-UHFFFAOYSA-N |
Boiling Point: | 316.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.319 g/cm3 |
MDL: | MFCD08361632 |
LogP: | 0.48320 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501783-A | Erianin heterocyclic derivative and preparation method and application thereof | 20210630 |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021154902-A1 | Collagen 1 translation inhibitors and methods of use thereof | 20200130 |
WO-2020130214-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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