Home Carboxys 6-sulfamoyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

6-sulfamoyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

CAS No.:
885532-14-9
Catalog Number:
AG01ABDQ
Molecular Formula:
C10H11NO5S
Molecular Weight:
257.2630
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Product Description
Catalog Number:
AG01ABDQ
Chemical Name:
6-sulfamoyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid
CAS Number:
885532-14-9
Molecular Formula:
C10H11NO5S
Molecular Weight:
257.2630
MDL Number:
MFCD08444529
IUPAC Name:
6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxylic acid
InChI:
InChI=1S/C10H11NO5S/c11-17(14,15)8-1-2-9-6(4-8)3-7(5-16-9)10(12)13/h1-2,4,7H,3,5H2,(H,12,13)(H2,11,14,15)
InChI Key:
JPLWTCNEAYJRLQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1COc2c(C1)cc(cc2)S(=O)(=O)N
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.036g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.26g/mol
Monoisotopic Mass:
257.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties