5-Methyl-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 186267-75-4
Catalog: |
BB014288 |
Product Name: |
5-Methyl-1H-benzo[d][1,3]oxazin-2(4H)-one |
CAS: |
186267-75-4 |
Synonyms: |
5-methyl-1,4-dihydro-3,1-benzoxazin-2-one; 5-methyl-1,4-dihydro-3,1-benzoxazin-2-one |
IUPAC Name: | 5-methyl-1,4-dihydro-3,1-benzoxazin-2-one |
Description: | 5-Methyl-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 186267-75-4 ) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | CC1=C2COC(=O)NC2=CC=C1 |
InChI: | InChI=1S/C9H9NO2/c1-6-3-2-4-8-7(6)5-12-9(11)10-8/h2-4H,5H2,1H3,(H,10,11) |
InChI Key: | OLJNZJBAQHWOIW-UHFFFAOYSA-N |
LogP: | 2.19510 |
Publication Number | Title | Priority Date |
EP-2435046-B1 | Heterocyclic compounds for the treatment of stress-related conditions | 20090528 |
US-2012065189-A1 | Heterocyclic compounds for the treatment of stress-related conditions | 20090528 |
US-9206173-B2 | Heterocyclic compounds for the treatment of stress-related conditions | 20090528 |
WO-2010137738-A1 | Heterocyclic compounds for the treatment of stress-related conditions | 20090528 |
US-2009203667-A1 | Pentadienamide derivatives | 20060713 |
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: | 1.4 |
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