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246253-00-9 | Hexanoic acid, 6-[[(octadecylamino)carbonyl]amino]-
CAS No: 246253-00-9 Catalog No: AG002OU8 MDL No:
Product Description
Catalog Number:
AG002OU8
Chemical Name:
Hexanoic acid, 6-[[(octadecylamino)carbonyl]amino]-
CAS Number:
246253-00-9
Molecular Formula:
C25H50N2O3
Molecular Weight:
426.6761
IUPAC Name:
6-(octadecylcarbamoylamino)hexanoic acid
InChI:
InChI=1S/C25H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-25(30)27-23-20-17-18-21-24(28)29/h2-23H2,1H3,(H,28,29)(H2,26,27,30)
InChI Key:
BRPYLMKLWOLPET-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCC(=O)O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.382g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
426.686g/mol
Monoisotopic Mass:
426.382g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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