2,3-Dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde - CAS 443955-90-6
Catalog: |
BB025593 |
Product Name: |
2,3-Dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde |
CAS: |
443955-90-6 |
Synonyms: |
2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxaldehyde; 2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde |
IUPAC Name: | 2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde |
Description: | 2,3-Dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde (CAS# 443955-90-6) is a useful research chemical. |
Molecular Weight: | 165.15 |
Molecular Formula: | C8H7NO3 |
Canonical SMILES: | C1COC2=CN=C(C=C2O1)C=O |
InChI: | InChI=1S/C8H7NO3/c10-5-6-3-7-8(4-9-6)12-2-1-11-7/h3-5H,1-2H2 |
InChI Key: | OMWBUWDHEZIMGQ-UHFFFAOYSA-N |
Boiling Point: | 293.012 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
MDL: | MFCD09907902 |
LogP: | 0.66530 |
GHS Hazard Statement: | H302 (50%): 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-2019243530-A1 | Oga inhibitor compounds | 20180620 |
EP-3810612-A1 | Oga inhibitor compounds | 20180620 |
US-2021122763-A1 | Oga inhibitor compounds | 20180620 |
CA-3060545-A1 | Type ii topoisomerase inhibitors and methods of making and using thereof | 20170417 |
EP-3612513-A1 | Type ii topoisomerase inhibitors and methods of making and using thereof | 20170417 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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