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13074-65-2 | Cyclopentanone, 2-hexyl-
CAS No: 13074-65-2 Catalog No: AG000UW4 MDL No:MFCD00059516
Product Description
Catalog Number:
AG000UW4
Chemical Name:
Cyclopentanone, 2-hexyl-
CAS Number:
13074-65-2
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
MDL Number:
MFCD00059516
IUPAC Name:
2-hexylcyclopentan-1-one
InChI:
InChI=1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10H,2-9H2,1H3
InChI Key:
JTHVYOIHZNYRCC-UHFFFAOYSA-N
SMILES:
CCCCCCC1CCCC1=O
EC Number:
235-970-6
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Fragrance material review on 2-hexylcyclopentanone. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20121001 |
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