Cas no 5665-73-6 (Hexanoic acid,2-ethenylidene-)
Hexanoic acid,2-ethenylidene- structure
Product Name:Hexanoic acid,2-ethenylidene-
CAS No:5665-73-6
MF:C8H12O2
MW:140.179682731628
CID:374389
PubChem ID:135455322
Update Time:2025-04-19
Hexanoic acid,2-ethenylidene- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,2-ethenylidene-
- 2-ethenylidenehexanoic acid
- 2-butyl-butadienoic acid
- 2-Butyl-butadiensaeure
- 2-VINYLIDENEHEXANOIC ACID
- 3-carboxy-1,2-heptadiene
- AC1L6ZRZ
- AG-F-99246
- CTK5A5514
- NSC525132
- Hexanoic acid, 2-ethenylidene-
- AKOS006378988
- TGJ449944Q
- 5665-73-6
- NSC-525132
- NSC 525132
- UNII-TGJ449944Q
-
- Inchi： 1S/C8H12O2/c1-3-5-6-7(4-2)8(9)10/h4H,2-3,5-6H2,1H3
- InChI Key： ONFXFSACNROWII-UHFFFAOYSA-N
- SMILES： [O-]C([C+](C=C)CCCC)=O
Computed Properties
- Exact Mass: 140.08376
- Monoisotopic Mass: 140.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- Density: 0.942
- Boiling Point: 259.8°Cat760mmHg
- Flash Point: 166.7°C
- Refractive Index: 1.453
- PSA: 37.3
Hexanoic acid,2-ethenylidene- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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