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116045-25-1 | Dodecanoic acid, 12-[(1-oxohexadecyl)amino]-
CAS No: 116045-25-1 Catalog No: AG000BGM MDL No:
Product Description
Catalog Number:
AG000BGM
Chemical Name:
Dodecanoic acid, 12-[(1-oxohexadecyl)amino]-
CAS Number:
116045-25-1
Molecular Formula:
C28H55NO3
Molecular Weight:
453.7412
IUPAC Name:
12-(hexadecanoylamino)dodecanoic acid
InChI:
InChI=1S/C28H55NO3/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-27(30)29-26-23-20-17-14-11-13-16-19-22-25-28(31)32/h2-26H2,1H3,(H,29,30)(H,31,32)
InChI Key:
IHDMBCLUVRBCER-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)O
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.418g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
453.752g/mol
Monoisotopic Mass:
453.418g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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