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167871-30-9 | Propanoic acid, 2-methyl-, tetradecyl ester
CAS No: 167871-30-9 Catalog No: AG001XOG MDL No:
Product Description
Catalog Number:
AG001XOG
Chemical Name:
Propanoic acid, 2-methyl-, tetradecyl ester
CAS Number:
167871-30-9
Molecular Formula:
C18H36O2
Molecular Weight:
284.4772
IUPAC Name:
tetradecyl 2-methylpropanoate
InChI:
InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h17H,4-16H2,1-3H3
InChI Key:
CFSDKUROIWNCSH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)C(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.272g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.484g/mol
Monoisotopic Mass:
284.272g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
Literature
| Title | Journal |
|---|---|
| Attraction of Piezodorus hybneri to the aggregation pheromone components of Riptortus clavatus. | Journal of chemical ecology 20060301 |
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