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123469-54-5 | Octanoic acid, 8-[(phenylsulfonyl)amino]-
CAS No: 123469-54-5 Catalog No: AG000KO5 MDL No:
Product Description
Catalog Number:
AG000KO5
Chemical Name:
Octanoic acid, 8-[(phenylsulfonyl)amino]-
CAS Number:
123469-54-5
Molecular Formula:
C14H21NO4S
Molecular Weight:
299.3858
IUPAC Name:
8-(benzenesulfonamido)octanoic acid
InChI:
InChI=1S/C14H21NO4S/c16-14(17)11-7-2-1-3-8-12-15-20(18,19)13-9-5-4-6-10-13/h4-6,9-10,15H,1-3,7-8,11-12H2,(H,16,17)
InChI Key:
VKNJBICPCNOEJD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCNS(=O)(=O)c1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.385g/mol
Monoisotopic Mass:
299.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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