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105-86-2 | 3,7-Dimethylocta-2,6-dien-1-yl formate
CAS No: 105-86-2 Catalog No: AG003QR2 MDL No:MFCD00021047
Product Description
Catalog Number:
AG003QR2
Chemical Name:
3,7-Dimethylocta-2,6-dien-1-yl formate
CAS Number:
105-86-2
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
MDL Number:
MFCD00021047
IUPAC Name:
[(2E)-3,7-dimethylocta-2,6-dienyl] formate
InChI:
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
InChI Key:
FQMZVFJYMPNUCT-YRNVUSSQSA-N
SMILES:
O=COC/C=C(/CCC=C(C)C)\C
UNII:
72O586X6ZI
FEMA Number:
2514
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| The hepatoprotective effects of dihydromyrcenol and geranyl formate in an experimental model of acute hepatic injury induced by the use of carbon tetrachloride. | The Turkish journal of gastroenterology : the official journal of Turkish Society of Gastroenterology 20111201 |
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