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143876-46-4 | 2-Propenoic acid, 3-[4-[[2-(phenylmethylene)hydrazinyl]sulfonyl]phenyl]-
CAS No: 143876-46-4 Catalog No: AG001IIQ MDL No:
Product Description
Catalog Number:
AG001IIQ
Chemical Name:
2-Propenoic acid, 3-[4-[[2-(phenylmethylene)hydrazinyl]sulfonyl]phenyl]-
CAS Number:
143876-46-4
Molecular Formula:
C16H14N2O4S
Molecular Weight:
330.3584
IUPAC Name:
3-[4-[(benzylideneamino)sulfamoyl]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C16H14N2O4S/c19-16(20)11-8-13-6-9-15(10-7-13)23(21,22)18-17-12-14-4-2-1-3-5-14/h1-12,18H,(H,19,20)
InChI Key:
FPLAYDUJKFBTCI-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)S(=O)(=O)NN=Cc1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.358g/mol
Monoisotopic Mass:
330.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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