sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-Methyl-2h-1,4-benzoxazin-3(4h)-one

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

CAS No.:
21744-84-3
Catalog Number:
AG003LQ1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$43
- +
5g
98%(GC)
In Stock USA
United States
$98
- +
25g
98%(GC)
In Stock USA
United States
$291
- +
Product Description
Catalog Number:
AG003LQ1
Chemical Name:
4-Methyl-2h-1,4-benzoxazin-3(4h)-one
CAS Number:
21744-84-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00601365
IUPAC Name:
4-methyl-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H9NO2/c1-10-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3
InChI Key:
DBJMEBUKQVZWMD-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1C)cccc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties