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Home Other Building Blocks 2-Methyl-4h-3,1-benzoxazin-4-one

2-Methyl-4h-3,1-benzoxazin-4-one

CAS No.:
525-76-8
Catalog Number:
AG00DEL0
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$73
- +
5g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG00DEL0
Chemical Name:
2-Methyl-4h-3,1-benzoxazin-4-one
CAS Number:
525-76-8
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00047647
IUPAC Name:
2-methyl-3,1-benzoxazin-4-one
InChI:
InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3
InChI Key:
WMQSKECCMQRJRX-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(=O)o1
EC Number:
208-381-7
UNII:
Y938TMX1D8
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and antioxidant evaluation of some new 3-substituted coumarins. Archiv der Pharmazie 20111101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties