Cas no 70994-13-7 (4-Decenoic acid,10-oxo-)
4-Decenoic acid,10-oxo- structure
Product Name:4-Decenoic acid,10-oxo-
CAS No:70994-13-7
MF:C10H16O3
MW:184.232243537903
CID:570871
PubChem ID:3018058
Update Time:2025-04-19
4-Decenoic acid,10-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Decenoic acid,10-oxo-
- 10-oxo-4-decenoic acid
- (4E)-10-oxodec-4-enoic acid
- 70994-13-7
- SCHEMBL11469494
- EINECS 275-096-2
-
- Inchi： 1S/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h2,4,9H,1,3,5-8H2,(H,12,13)
- InChI Key： RMWKFDCOCADQIU-UHFFFAOYSA-N
- SMILES： O=CCCCCC=CCCC(=O)O
Computed Properties
- Exact Mass: 184.10998
- Monoisotopic Mass: 184.109944
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 173
- 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: 54.4
- XLogP3: 1.3
Experimental Properties
- Density: 1.028
- Boiling Point: 324.1°C at 760 mmHg
- Flash Point: 164°C
- Refractive Index: 1.472
- PSA: 54.37
4-Decenoic acid,10-oxo- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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