Cas no 39843-12-4 ()
structure
Product Name:
CAS No:39843-12-4
MF:C23H44O5
MW:400.592468261719
CID:6647478
PubChem ID:20523694
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi: 1S/C23H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h22,24H,3-20H2,1-2H3
- InChI Key: YYNRZPHGSZOSAB-UHFFFAOYSA-N
- SMILES: O(CC(CO)OC(C)=O)C(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 400.31887450g/mol
- Monoisotopic Mass: 400.31887450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 22
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.8
- Topological Polar Surface Area: 72.8?2
Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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