Cas no 920749-91-3 (2,7-Octadienoic acid, 2-methyl-, (2E)-)
920749-91-3 structure
Product Name:2,7-Octadienoic acid, 2-methyl-, (2E)-
CAS No:920749-91-3
MF:C9H14O2
MW:154.206263065338
CID:755459
PubChem ID:71423928
Update Time:2025-04-19
2,7-Octadienoic acid, 2-methyl-, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2,7-Octadienoic acid, 2-methyl-, (2E)-
- 2-methylocta-2,7-dienoic acid
- DTXSID30842733
- 920749-91-3
-
- Inchi： 1S/C9H14O2/c1-3-4-5-6-7-8(2)9(10)11/h3,7H,1,4-6H2,2H3,(H,10,11)
- InChI Key： FZHNXJNEFFEKMW-UHFFFAOYSA-N
- SMILES： OC(C(C)=CCCCC=C)=O
Computed Properties
- Exact Mass: 154.099379685g/mol
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 168
- 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: 2.5
- Topological Polar Surface Area: 37.3?2
2,7-Octadienoic acid, 2-methyl-, (2E)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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