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89298-26-0 | Benzoic acid, 4-ethenyl-, 4-[[(methylsulfonyl)amino]methyl]phenyl ester
CAS No: 89298-26-0 Catalog No: AG0040CU MDL No:
Product Description
Catalog Number:
AG0040CU
Chemical Name:
Benzoic acid, 4-ethenyl-, 4-[[(methylsulfonyl)amino]methyl]phenyl ester
CAS Number:
89298-26-0
Molecular Formula:
C17H17NO4S
Molecular Weight:
331.3862
IUPAC Name:
[4-(methanesulfonamidomethyl)phenyl] 4-ethenylbenzoate
InChI:
InChI=1S/C17H17NO4S/c1-3-13-4-8-15(9-5-13)17(19)22-16-10-6-14(7-11-16)12-18-23(2,20)21/h3-11,18H,1,12H2,2H3
InChI Key:
YZIHKLNAWKMKLD-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)C(=O)Oc1ccc(cc1)CNS(=O)(=O)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
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