Dimethyl Pyridine-3,5-dicarboxylate - CAS 4591-55-3
Catalog: |
BB026014 |
Product Name: |
Dimethyl Pyridine-3,5-dicarboxylate |
CAS: |
4591-55-3 |
Synonyms: |
pyridine-3,5-dicarboxylic acid dimethyl ester; dimethyl pyridine-3,5-dicarboxylate |
IUPAC Name: | dimethyl pyridine-3,5-dicarboxylate |
Description: | Dimethyl Pyridine-3,5-dicarboxylate (CAS# 4591-55-3) is a compound useful in organic synthesis. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | COC(=O)C1=CC(=CN=C1)C(=O)OC |
InChI: | InChI=1S/C9H9NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h3-5H,1-2H3 |
InChI Key: | HDTNLHHNQYBOHJ-UHFFFAOYSA-N |
Boiling Point: | 267.6 ℃ at 760 mmHg |
Density: | 1.231 g/cm3 |
MDL: | MFCD00518827 |
LogP: | 0.65480 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020215144-A1 | Diazirine-based molecules and uses thereof | 20190426 |
CN-111378144-A | Force-induced response supramolecular polymer | 20190101 |
WO-2020028482-A1 | Small molecules that sensitize hiv-1 infected cells to antibody dependent cellular cytotoxicity | 20180731 |
KR-20190032551-A | Memantine transdermal delivery system | 20160727 |
CN-109476659-B | Novel tetrahydropyrazolopyridine compounds for the treatment of infectious diseases | 20160714 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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