Cas no 1191-03-3 (4,8-Decadienoic acid,methyl ester)
1191-03-3 structure
Product Name:4,8-Decadienoic acid,methyl ester
CAS No:1191-03-3
MF:C11H18O2
MW:182.259423732758
CID:117479
Update Time:2025-04-18
4,8-Decadienoic acid,methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4,8-Decadienoic acid,methyl ester
- METHYLDECA-4,8-DIENOATE
-
- Inchi： 1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b4-3-,8-7-
- InChI Key： ZYNYTTXGMNCKDP-KPDBFRNYSA-N
- SMILES： COC(CC/C=C\CC/C=C\C)=O
Computed Properties
- Exact Mass: 182.131
- Monoisotopic Mass: 182.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- Topological Polar Surface Area: 26.3A^2
4,8-Decadienoic acid,methyl ester Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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