Home Other Building Blocks 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propanoic acid

3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propanoic acid

CAS No.:
1268047-11-5
Catalog Number:
AG01DYMV
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DYMV
Chemical Name:
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propanoic acid
CAS Number:
1268047-11-5
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD19318555
IUPAC Name:
3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoic acid
InChI:
InChI=1S/C11H11NO4/c13-10-6-16-9-3-1-7(2-4-11(14)15)5-8(9)12-10/h1,3,5H,2,4,6H2,(H,12,13)(H,14,15)
InChI Key:
KABSKLUTMYWZHX-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc2c(c1)NC(=O)CO2
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties