Cas no 84434-65-1 (3-Octanol, 3-formate)
3-Octanol, 3-formate structure
Product Name:3-Octanol, 3-formate
CAS No:84434-65-1
MF:C9H18O2
MW:158.238023281097
CID:727549
Update Time:2025-04-19
3-Octanol, 3-formate Chemical and Physical Properties
Names and Identifiers
-
- 3-Octanol, 3-formate
- 3 OCTYL FORMATE
- octan-3-yl formate
- 3-Octanol,formate (7CI,9CI)
- 3-Octyl formate
- EINECS 282-866-1
-
- Inchi： 1S/C9H18O2/c1-3-5-6-7-9(4-2)11-8-10/h8-9H,3-7H2,1-2H3
- InChI Key： PPJCPDSDDKESKL-UHFFFAOYSA-N
- SMILES： CCCCCC(OC=O)CC
Computed Properties
- Exact Mass: 158.13100
- Monoisotopic Mass: 264.20893
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 381
- 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
- Topological Polar Surface Area: 26.3
Experimental Properties
- PSA: 26.30000
- LogP: 3.15420
- FEMA: 4009 | (+/-)-OCTAN-3-YL FORMATE
3-Octanol, 3-formate Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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