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162190-76-3 | Cyclopentanone, 2-heptylidene-, (2E)-
CAS No: 162190-76-3 Catalog No: AG001SV0 MDL No:
Product Description
Catalog Number:
AG001SV0
Chemical Name:
Cyclopentanone, 2-heptylidene-, (2E)-
CAS Number:
162190-76-3
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
2-heptylidenecyclopentan-1-one
InChI:
InChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h8H,2-7,9-10H2,1H3
InChI Key:
PBNMXJOZTAVFCR-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/1\CCCC1=O
EC Number:
254-339-6
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Fragrance material review on 2-heptylidenecyclopentan-1-one. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20121001 |
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