7-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 39522-25-3
Catalog: |
BB024014 |
Product Name: |
7-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
39522-25-3 |
Synonyms: |
7-methyl-4H-1,4-benzoxazin-3-one; 7-methyl-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 7-methyl-4H-1,4-benzoxazin-3-one |
Description: | 7-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 39522-25-3) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)NC(=O)CO2 |
InChI: | InChI=1S/C9H9NO2/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11) |
InChI Key: | XFJYLKINYUFREU-UHFFFAOYSA-N |
Boiling Point: | 347.1 °C at 760 mmHg |
Density: | 1.198 g/cm3 |
LogP: | 1.46390 |
Publication Number | Title | Priority Date |
WO-2020150674-A1 | Heterocyclic compounds as adenosine antagonists | 20190118 |
WO-2020150677-A1 | Heterocyclic compounds as adenosine antagonists | 20190118 |
WO-2019243526-A1 | Oga inhibitor compounds | 20180620 |
WO-2019243527-A1 | Oga inhibitor compounds | 20180620 |
CN-111936474-A | Method for preparing fuel additive | 20171227 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.06332853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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