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113849-15-3 | 5,8-Nonadienoic acid, 9-(4-chlorophenyl)-7,7-dimethyl-, (E,Z)- (9CI)
CAS No: 113849-15-3 Catalog No: AG0009WD MDL No:
Product Description
Catalog Number:
AG0009WD
Chemical Name:
5,8-Nonadienoic acid, 9-(4-chlorophenyl)-7,7-dimethyl-, (E,Z)- (9CI)
CAS Number:
113849-15-3
Molecular Formula:
C17H21ClO2
Molecular Weight:
292.8004
IUPAC Name:
9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
InChI:
InChI=1S/C17H21ClO2/c1-17(2,12-5-3-4-6-16(19)20)13-11-14-7-9-15(18)10-8-14/h5,7-13H,3-4,6H2,1-2H3,(H,19,20)
InChI Key:
MDCBZIPHGRGTOZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC/C=C/C(/C=C\c1ccc(cc1)Cl)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.803g/mol
Monoisotopic Mass:
292.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Molecular evidence of cryptic speciation, historical range expansion, and recent intraspecific hybridization in the Neotropical seasonal forest tree Cedrela fissilis (Meliaceae). | Molecular phylogenetics and evolution 20111201 |
| Southward Pleistocene migration of Douglas-fir into Mexico: phylogeography, ecological niche modeling, and conservation of 'rear edge' populations. | The New phytologist 20110301 |
| A new approach to improve the scoring of mononucleotide microsatellite loci. | American journal of botany 20110301 |
| Molecular database for classifying Shorea species (Dipterocarpaceae) and techniques for checking the legitimacy of timber and wood products. | Journal of plant research 20110101 |
| AFLP studies on downy-mildew-resistant and downy-mildew-susceptible genotypes of opium poppy. | Journal of genetics 20100401 |
| Phylogenetic analysis of the genus Sorghum based on combined sequence data from cpDNA regions and ITS generate well-supported trees with two major lineages. | Annals of botany 20100301 |
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