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100079-24-1 | Benzamide, 3,4,5-trihydroxy-N-octyl-
CAS No: 100079-24-1 Catalog No: AG0000UK MDL No:
Product Description
Catalog Number:
AG0000UK
Chemical Name:
Benzamide, 3,4,5-trihydroxy-N-octyl-
CAS Number:
100079-24-1
Molecular Formula:
C15H23NO4
Molecular Weight:
281.3474
IUPAC Name:
3,4,5-trihydroxy-N-octylbenzamide
InChI:
InChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-16-15(20)11-9-12(17)14(19)13(18)10-11/h9-10,17-19H,2-8H2,1H3,(H,16,20)
InChI Key:
QJLCSFQWKBLNGJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)c1cc(O)c(c(c1)O)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
281.352g/mol
Monoisotopic Mass:
281.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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