6-Methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 5023-12-1
Catalog: |
BB026959 |
Product Name: |
6-Methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
5023-12-1 |
Synonyms: |
6-methoxy-4H-1,4-benzoxazin-3-one; 6-methoxy-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-methoxy-4H-1,4-benzoxazin-3-one |
Description: | 6-Methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 5023-12-1) is a useful research chemical compound. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | COC1=CC2=C(C=C1)OCC(=O)N2 |
InChI: | InChI=1S/C9H9NO3/c1-12-6-2-3-8-7(4-6)10-9(11)5-13-8/h2-4H,5H2,1H3,(H,10,11) |
InChI Key: | YWGRZAGXNFIQBO-UHFFFAOYSA-N |
Boiling Point: | 355.5 °C at 760 mmHg |
Density: | 1.245 g/cm3 |
MDL: | MFCD08272060 |
LogP: | 1.16410 |
Publication Number | Title | Priority Date |
WO-2021150979-A1 | Oxazine-based fluorophore compounds for nerve-specific imaging | 20200124 |
CN-107652249-B | Synthesis process of 1, 4 benzoxazinone compound | 20170926 |
US-10300155-B2 | Alpha-synuclein ligands | 20151231 |
US-2017189566-A1 | Alpha-synuclein ligands | 20151231 |
WO-2016155573-A1 | Heterocyclic derivative, and preparation method therefor and use thereof in medicine | 20150327 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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