4,6-Dimethoxypyrimidine-2-carboxylic Acid - CAS 128276-50-6
Catalog: |
BB006894 |
Product Name: |
4,6-Dimethoxypyrimidine-2-carboxylic Acid |
CAS: |
128276-50-6 |
Synonyms: |
4,6-dimethoxy-2-pyrimidinecarboxylic acid; 4,6-dimethoxypyrimidine-2-carboxylic acid |
IUPAC Name: | 4,6-dimethoxypyrimidine-2-carboxylic acid |
Description: | 4,6-Dimethoxypyrimidine-2-carboxylic Acid (CAS# 128276-50-6) is a useful research chemical. |
Molecular Weight: | 184.15 |
Molecular Formula: | C7H8N2O4 |
Canonical SMILES: | COC1=CC(=NC(=N1)C(=O)O)OC |
InChI: | InChI=1S/C7H8N2O4/c1-12-4-3-5(13-2)9-6(8-4)7(10)11/h3H,1-2H3,(H,10,11) |
InChI Key: | PRXXMEMJCXTHTP-UHFFFAOYSA-N |
Boiling Point: | 426.2 ℃ at 760 mmHg |
Density: | 1.349 g/cm3 |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD03645365 |
LogP: | 0.19200 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020085234-A1 | Morphinan derivative | 20181022 |
AU-2018360857-A1 | Modulators of the integrated stress pathway | 20171102 |
CA-3080806-A1 | Modulators of the integrated stress pathway | 20171102 |
TW-201927756-A | Integrating stress pathway regulator | 20171102 |
WO-2019090076-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.04840674 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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