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89217-68-5 | Benzenesulfonic acid,4-[(1-oxo-3-phenyl-2-propen-1-yl)amino]-
CAS No: 89217-68-5 Catalog No: AG0044YU MDL No:
Product Description
Catalog Number:
AG0044YU
Chemical Name:
Benzenesulfonic acid,4-[(1-oxo-3-phenyl-2-propen-1-yl)amino]-
CAS Number:
89217-68-5
Molecular Formula:
C15H13NO4S
Molecular Weight:
303.3330
IUPAC Name:
4-(3-phenylprop-2-enoylamino)benzenesulfonic acid
InChI:
InChI=1S/C15H13NO4S/c17-15(11-6-12-4-2-1-3-5-12)16-13-7-9-14(10-8-13)21(18,19)20/h1-11H,(H,16,17)(H,18,19,20)
InChI Key:
WRSKRHBACBNALX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)O)C=Cc1ccccc1
EC Number:
289-480-2
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.332g/mol
Monoisotopic Mass:
303.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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