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20536-36-1 | 2,6-Octadiene, 1-chloro-3,7-dimethyl-, (2Z)-
CAS No: 20536-36-1 Catalog No: AG002A19 MDL No:
Product Description
Catalog Number:
AG002A19
Chemical Name:
2,6-Octadiene, 1-chloro-3,7-dimethyl-, (2Z)-
CAS Number:
20536-36-1
Molecular Formula:
C10H17Cl
Molecular Weight:
172.6950
IUPAC Name:
1-chloro-3,7-dimethylocta-2,6-diene
InChI:
InChI=1S/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3
InChI Key:
WLAUCMCTKPXDIY-UHFFFAOYSA-N
SMILES:
ClC/C=C(\CCC=C(C)C)/C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.102g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.696g/mol
Monoisotopic Mass:
172.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Aggressive mammary carcinoma progression in Nrf2 knockout mice treated with 7,12-dimethylbenz[a]anthracene. | BMC cancer 20100101 |
| Studies of the formation of all-carbon quaternary centres, en route to lyngbyatoxin A. A comparison of phenyl and 7-substituted indole systems. | Organic & biomolecular chemistry 20040521 |
| Permanganate oxidation of 1,5,9-trienes: stereoselective synthesis of tetrahydrofuran-containing fragments. | The Journal of organic chemistry 20021115 |
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