Home Carboxys 3-Oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid

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

CAS No.:
134997-87-8
Catalog Number:
AG0038XY
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG0038XY
Chemical Name:
3-Oxo-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid
CAS Number:
134997-87-8
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD03036647
IUPAC Name:
3-oxo-4H-1,4-benzoxazine-6-carboxylic acid
InChI:
InChI=1S/C9H7NO4/c11-8-4-14-7-2-1-5(9(12)13)3-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key:
CIYUDMUBYRVMLP-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)C(=O)O
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties