Home Other Building Blocks 3-[(cyclopropylmethyl)sulfamoyl]benzoic acid

3-[(cyclopropylmethyl)sulfamoyl]benzoic acid

CAS No.:
954579-38-5
Catalog Number:
AG019LYJ
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
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Product Description
Catalog Number:
AG019LYJ
Chemical Name:
3-[(cyclopropylmethyl)sulfamoyl]benzoic acid
CAS Number:
954579-38-5
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
MDL Number:
MFCD09742592
IUPAC Name:
3-(cyclopropylmethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C11H13NO4S/c13-11(14)9-2-1-3-10(6-9)17(15,16)12-7-8-4-5-8/h1-3,6,8,12H,4-5,7H2,(H,13,14)
InChI Key:
YUPHADUERSFAIT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)NCC1CC1
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties