Cas no 13722-70-8 (Heptanoic acid,4-methylene-)
Heptanoic acid,4-methylene- structure
Product Name:Heptanoic acid,4-methylene-
CAS No:13722-70-8
MF:C8H14O2
MW:142.195562839508
CID:167771
PubChem ID:151815
Update Time:2025-04-19
Heptanoic acid,4-methylene- Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid,4-methylene-
- 4-methylideneheptanoic acid
- 4-propyl-4-pentenoic acid
- SCHEMBL3504314
- AKOS006381302
- DTXSID40160112
- 13722-70-8
- Heptanoic acid, 4-methylene-
-
- Inchi： 1S/C8H14O2/c1-3-4-7(2)5-6-8(9)10/h2-6H2,1H3,(H,9,10)
- InChI Key： RVGJFWAATJYOMM-UHFFFAOYSA-N
- SMILES： OC(CCC(=C)CCC)=O
Computed Properties
- Exact Mass: 142.099379685g/mol
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 127
- 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: 2.4
- Topological Polar Surface Area: 37.3?2
Heptanoic acid,4-methylene- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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