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89298-32-8 | Benzoic acid, 4-ethenyl-, 4-[(ethylsulfonyl)amino]phenyl ester
CAS No: 89298-32-8 Catalog No: AG0040CS MDL No:
Product Description
Catalog Number:
AG0040CS
Chemical Name:
Benzoic acid, 4-ethenyl-, 4-[(ethylsulfonyl)amino]phenyl ester
CAS Number:
89298-32-8
Molecular Formula:
C17H17NO4S
Molecular Weight:
331.3862
IUPAC Name:
[4-(ethylsulfonylamino)phenyl] 4-ethenylbenzoate
InChI:
InChI=1S/C17H17NO4S/c1-3-13-5-7-14(8-6-13)17(19)22-16-11-9-15(10-12-16)18-23(20,21)4-2/h3,5-12,18H,1,4H2,2H3
InChI Key:
BCYQVECKCJMDCJ-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)Nc1ccc(cc1)OC(=O)c1ccc(cc1)C=C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.386g/mol
Monoisotopic Mass:
331.088g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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