Home Sulfos 2-[6-(ethanesulfonyl)-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetic acid

2-[6-(ethanesulfonyl)-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetic acid

CAS No.:
954263-08-2
Catalog Number:
AG01AKWA
Molecular Formula:
C12H13NO6S
Molecular Weight:
299.2997
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Product Description
Catalog Number:
AG01AKWA
Chemical Name:
2-[6-(ethanesulfonyl)-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetic acid
CAS Number:
954263-08-2
Molecular Formula:
C12H13NO6S
Molecular Weight:
299.2997
MDL Number:
MFCD09739610
IUPAC Name:
2-(6-ethylsulfonyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid
InChI:
InChI=1S/C12H13NO6S/c1-2-20(17,18)8-3-4-10-9(5-8)13(6-11(14)15)7-12(16)19-10/h3-5H,2,6-7H2,1H3,(H,14,15)
InChI Key:
SDKNKZPGBPJDKR-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc2c(c1)N(CC(=O)O)CC(=O)O2
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.046g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.297g/mol
Monoisotopic Mass:
299.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties