sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 4-Methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid

4-Methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid

CAS No.:
861338-27-4
Catalog Number:
AG004KWS
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG004KWS
Chemical Name:
4-Methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid
CAS Number:
861338-27-4
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD10037671
IUPAC Name:
4-methyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
InChI:
InChI=1S/C10H9NO4/c1-11-7-4-6(10(13)14)2-3-8(7)15-5-9(11)12/h2-4H,5H2,1H3,(H,13,14)
InChI Key:
YAECFAFQQDKRKF-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1C)cc(cc2)C(=O)O
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties