Cas no 85391-92-0 (3,6-Octadienoic acid,3,7-dimethyl-)
85391-92-0 structure
Product Name:3,6-Octadienoic acid,3,7-dimethyl-
CAS No:85391-92-0
MF:C10H16O2
MW:168.232843399048
CID:726768
PubChem ID:3020658
Update Time:2024-03-01
3,6-Octadienoic acid,3,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,6-Octadienoic acid,3,7-dimethyl-
- 3,7-dimethylocta-3,6-dienoic acid
- 3,7-Dimethyl-3,6-octadienoic acid
- Einecs 286-848-4
- 3,6-Octadienoic acid, 3,7-dimethyl-
- 85391-92-0
- DTXSID201299333
- NS00064891
-
- Inchi： 1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5-6H,4,7H2,1-3H3,(H,11,12)
- InChI Key： LYZWBENYAKKYLM-UHFFFAOYSA-N
- SMILES： C(O)(=O)CC(C)=CC/C=C(\C)/C
Computed Properties
- Exact Mass: 168.11503
- Monoisotopic Mass: 168.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 208
- 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
- XLogP3: 3
- Topological Polar Surface Area: 37.3
Experimental Properties
- Density: 0.96
- Boiling Point: 283.7°C at 760 mmHg
- Flash Point: 180.8°C
- Refractive Index: 1.48
3,6-Octadienoic acid,3,7-dimethyl- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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