Cas no 79994-21-1 (2-Dibenzofurancarboxylicacid, 3-hydroxy-7-methoxy-1,9-dipentyl-)
79994-21-1 structure
Product Name:2-Dibenzofurancarboxylicacid, 3-hydroxy-7-methoxy-1,9-dipentyl-
CAS No:79994-21-1
MF:C24H30O5
MW:398.492007732391
CID:579010
PubChem ID:71405159
Update Time:2025-04-19
2-Dibenzofurancarboxylicacid, 3-hydroxy-7-methoxy-1,9-dipentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Dibenzofurancarboxylicacid, 3-hydroxy-7-methoxy-1,9-dipentyl-
- 3-hydroxy-7-methoxy-1,9-dipentyldibenzofuran-2-carboxylic acid
- Condidymic acid
- 79994-21-1
- DTXSID40825855
- CHEBI:221894
- 3-Hydroxy-7-methoxy-1,9-dipentyldibenzo[b,d]furan-2-carboxylic acid
- 3-hydroxy-7-methoxy-1,9-dipentyldibenzouran-2-carboxylic acid
-
- Inchi： 1S/C24H30O5/c1-4-6-8-10-15-12-16(28-3)13-19-21(15)23-17(11-9-7-5-2)22(24(26)27)18(25)14-20(23)29-19/h12-14,25H,4-11H2,1-3H3,(H,26,27)
- InChI Key： JJNLMPAFVQRTIH-UHFFFAOYSA-N
- SMILES： O1C2C=C(C=C(CCCCC)C=2C2=C1C=C(C(C(=O)O)=C2CCCCC)O)OC
Computed Properties
- Exact Mass: 398.20932405g/mol
- Monoisotopic Mass: 398.20932405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 10
- Complexity: 523
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.2
- Topological Polar Surface Area: 79.9?2
2-Dibenzofurancarboxylicacid, 3-hydroxy-7-methoxy-1,9-dipentyl- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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