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137-03-1 | Cyclopentanone, 2-heptyl-
CAS No: 137-03-1 Catalog No: AG0012OM MDL No:MFCD00019315
Product Description
Catalog Number:
AG0012OM
Chemical Name:
Cyclopentanone, 2-heptyl-
CAS Number:
137-03-1
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
MDL Number:
MFCD00019315
IUPAC Name:
2-heptylcyclopentan-1-one
InChI:
InChI=1S/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3
InChI Key:
PJXHBTZLHITWFX-UHFFFAOYSA-N
SMILES:
CCCCCCCC1CCCC1=O
NSC Number:
78468
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Fragrance material review on 2-heptylcyclopentanone. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20121001 |
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