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20299-80-3 | 1-Octanone, 1-(1-pyrrolidinyl)-
CAS No: 20299-80-3 Catalog No: AG0028MH MDL No:
Product Description
Catalog Number:
AG0028MH
Chemical Name:
1-Octanone, 1-(1-pyrrolidinyl)-
CAS Number:
20299-80-3
Molecular Formula:
C12H23NO
Molecular Weight:
197.3171
IUPAC Name:
1-pyrrolidin-1-yloctan-1-one
InChI:
InChI=1S/C12H23NO/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-13/h2-11H2,1H3
InChI Key:
KXCCVGMZOHLZIW-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)N1CCCC1
NSC Number:
60378
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.322g/mol
Monoisotopic Mass:
197.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Extraction of phenol from wastewater by N-octanoylpyrrolidine. | Journal of hazardous materials 20041018 |
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