Cas no 90387-19-2 (Tridecanoic acid, (2,2-dichloro-3-heptylcyclopropyl)-)
90387-19-2 structure
Product Name:Tridecanoic acid, (2,2-dichloro-3-heptylcyclopropyl)-
CAS No:90387-19-2
MF:C23H42Cl2O2
MW:421.484385967255
CID:788848
PubChem ID:71429138
Update Time:2025-04-19
Tridecanoic acid, (2,2-dichloro-3-heptylcyclopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Tridecanoic acid, (2,2-dichloro-3-heptylcyclopropyl)-
- 2-(2,2-dichloro-3-heptylcyclopropyl)tridecanoic acid
- 90387-19-2
- DTXSID90847840
-
- Inchi： 1S/C23H42Cl2O2/c1-3-5-7-9-10-11-12-14-15-17-19(22(26)27)21-20(23(21,24)25)18-16-13-8-6-4-2/h19-21H,3-18H2,1-2H3,(H,26,27)
- InChI Key： ZMTSYRSLZNDSPR-UHFFFAOYSA-N
- SMILES： ClC1(C(CCCCCCC)C1C(C(=O)O)CCCCCCCCCCC)Cl
Computed Properties
- Exact Mass: 420.2561860g/mol
- Monoisotopic Mass: 420.2561860g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 18
- Complexity: 398
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.6
- Topological Polar Surface Area: 37.3?2
Tridecanoic acid, (2,2-dichloro-3-heptylcyclopropyl)- Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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