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144-39-8 | 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate
CAS No: 144-39-8 Catalog No: AG001IR6 MDL No:MFCD00048607
Product Description
Catalog Number:
AG001IR6
Chemical Name:
1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate
CAS Number:
144-39-8
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
MDL Number:
MFCD00048607
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl propanoate
InChI:
InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3
InChI Key:
WAQIIHCCEMGYKP-UHFFFAOYSA-N
SMILES:
CCC(=O)OC(CCC=C(C)C)(C=C)C
EC Number:
205-627-5
NSC Number:
46139
FEMA Number:
2645
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Inhibition of prostate cancer (LNCaP) cell proliferation by volatile components from Nagami kumquats. | Planta medica 20120601 |
| Fragrance material review on linalyl propionate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20030701 |
| Variation of major volatile constituents in various green teas from Southeast Asia. | Journal of agricultural and food chemistry 20010301 |
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