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15623-17-3 | Decanoic acid, 6-amino-
CAS No: 15623-17-3 Catalog No: AG001OM3 MDL No:
Product Description
Catalog Number:
AG001OM3
Chemical Name:
Decanoic acid, 6-amino-
CAS Number:
15623-17-3
Molecular Formula:
C10H21NO2
Molecular Weight:
187.2792
IUPAC Name:
6-aminodecanoic acid
InChI:
InChI=1S/C10H21NO2/c1-2-3-6-9(11)7-4-5-8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChI Key:
KWRJJRJSLJRTRC-UHFFFAOYSA-N
SMILES:
CCCCC(CCCCC(=O)O)N
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.157g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.283g/mol
Monoisotopic Mass:
187.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Beckmann rearrangement of 15N-cyclohexanone oxime on zeolites silicalite-1, H-ZSM-5, and H-[B]ZSM-5 studied by solid-state NMR spectroscopy. | Journal of the American Chemical Society 20061122 |
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