Cas no 83439-42-3 (2,6-Heptadienoic acid, methyl ester)
83439-42-3 structure
Product Name:2,6-Heptadienoic acid, methyl ester
CAS No:83439-42-3
MF:C8H12O2
MW:140.179682731628
CID:671613
PubChem ID:53838089
Update Time:2025-04-19
2,6-Heptadienoic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Heptadienoic acid, methyl ester
- methyl hepta-2,6-dienoate
- DTXSID90707036
- 83439-42-3
-
- Inchi： 1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3,6-7H,1,4-5H2,2H3
- InChI Key： GHDDNOPAVQADSN-UHFFFAOYSA-N
- SMILES： O(C)C(C=CCCC=C)=O
Computed Properties
- Exact Mass: 140.083729621g/mol
- Monoisotopic Mass: 140.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.9
- Topological Polar Surface Area: 26.3?2
2,6-Heptadienoic acid, methyl ester Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
83439-42-3 (2,6-Heptadienoic acid, methyl ester) Related Products
- 27829-72-7((2E)-2-Hexenoic Acid Ethyl Ester)
- 13894-63-8((2E)-2-Hexenoic Acid Methyl Ester)
- 27234-05-5(Octadecenoic acid,methyl ester)
- 59939-11-6(methyl (E)-3-cyclopropylprop-2-enoate)
- 818-59-7(Methyl 2-pentenoate)
- 15790-88-2(Methyl 2-Pentenoate)
- 22104-69-4(2-Heptenoic acid,methyl ester)
- 7367-81-9(Methyl (E)-oct-2-enoate)
- 75513-56-3(Methyl 5-methyl-2-hexenoate)
- 2396-77-2(2-Hexenoic acid, methyl ester)
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