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147723-92-0 | 2-Propenoic acid, 3-[4-(aminosulfonyl)phenyl]-
CAS No: 147723-92-0 Catalog No: AG001F66 MDL No:
Product Description
Catalog Number:
AG001F66
Chemical Name:
2-Propenoic acid, 3-[4-(aminosulfonyl)phenyl]-
CAS Number:
147723-92-0
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
IUPAC Name:
3-(4-sulfamoylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H9NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)(H2,10,13,14)
InChI Key:
HEDUHTUYJZYWOJ-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.234g/mol
Monoisotopic Mass:
227.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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