Cas no 139694-62-5 (2,5-Heptadienoic acid, 5,6-dimethyl-, ethyl ester, (E)-)
139694-62-5 structure
Product Name:2,5-Heptadienoic acid, 5,6-dimethyl-, ethyl ester, (E)-
CAS No:139694-62-5
MF:C11H18O2
MW:182.259423732758
CID:1289811
Update Time:2024-08-03
2,5-Heptadienoic acid, 5,6-dimethyl-, ethyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
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- 2,5-Heptadienoic acid, 5,6-dimethyl-, ethyl ester, (E)-
- 2,5-Heptadienoic acid, 5,6-dimethyl-, ethyl ester, (E)- (9CI)
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- Inchi： 1S/C11H18O2/c1-5-13-11(12)8-6-7-10(4)9(2)3/h6,8H,5,7H2,1-4H3/b8-6+
- InChI Key： JZFDVXNRDRMLDV-SOFGYWHQSA-N
- SMILES： C(OCC)(=O)/C=C/C/C(/C)=C(/C)\C
Computed Properties
- Exact Mass: 182.13074
- 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: 5
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 0.909±0.06 g/cm3(Predicted)
- Boiling Point: 242.5±19.0 °C(Predicted)
- PSA: 26.3
2,5-Heptadienoic acid, 5,6-dimethyl-, ethyl ester, (E)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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