Home Other Building Blocks (2E)-3-[4-(methylsulfamoyl)phenyl]prop-2-enoic acid

(2E)-3-[4-(methylsulfamoyl)phenyl]prop-2-enoic acid

CAS No.:
199679-41-9
Catalog Number:
AG01DSWA
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
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Product Description
Catalog Number:
AG01DSWA
Chemical Name:
(2E)-3-[4-(methylsulfamoyl)phenyl]prop-2-enoic acid
CAS Number:
199679-41-9
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
MDL Number:
MFCD08239603
IUPAC Name:
(E)-3-[4-(methylsulfamoyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H11NO4S/c1-11-16(14,15)9-5-2-8(3-6-9)4-7-10(12)13/h2-7,11H,1H3,(H,12,13)/b7-4+
InChI Key:
WEYOEFGCURUXDM-QPJJXVBHSA-N
SMILES:
CNS(=O)(=O)c1ccc(cc1)/C=C/C(=O)O
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
241.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.261g/mol
Monoisotopic Mass:
241.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties