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824936-64-3 | Cyclopropanecarboxylic acid, 1-[4-[(methylsulfonyl)amino]phenyl]-
CAS No: 824936-64-3 Catalog No: AG004VIS MDL No:
Product Description
Catalog Number:
AG004VIS
Chemical Name:
Cyclopropanecarboxylic acid, 1-[4-[(methylsulfonyl)amino]phenyl]-
CAS Number:
824936-64-3
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
IUPAC Name:
1-[4-(methanesulfonamido)phenyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H13NO4S/c1-17(15,16)12-9-4-2-8(3-5-9)11(6-7-11)10(13)14/h2-5,12H,6-7H2,1H3,(H,13,14)
InChI Key:
WSWLBAXHHGNVNQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)c1ccc(cc1)NS(=O)(=O)C
Properties
Complexity:
400
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:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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