Cas no 98299-78-6 (2H-1-Benzopyran-2-one,8-[(3,7-dimethyl-2-octenyl)oxy]-7-hydroxy- (9CI))
![2H-1-Benzopyran-2-one,8-[(3,7-dimethyl-2-octenyl)oxy]-7-hydroxy- (9CI) structure](https://ossimg.kuujia.com/scimg/98500/98299-78-6x500.png)
98299-78-6 structure
Product Name:2H-1-Benzopyran-2-one,8-[(3,7-dimethyl-2-octenyl)oxy]-7-hydroxy- (9CI)
CAS No:98299-78-6
MF:C19H24O4
MW:316.391466140747
CID:805646
PubChem ID:6435569
Update Time:2025-04-19
2H-1-Benzopyran-2-one,8-[(3,7-dimethyl-2-octenyl)oxy]-7-hydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one,8-[(3,7-dimethyl-2-octenyl)oxy]-7-hydroxy- (9CI)
- 8-[(E)-3,7-dimethyloct-2-enoxy]-7-hydroxychromen-2-one
- ferujol
- 8-(((2E)-3,7-DIMETHYLOCT-2-EN-1-YL)OXY)-7-HYDROXY-2H-CHROMEN-2-ONE
- UNII-SGK3OX19I8
- 2H-1-Benzopyran-2-one, 8-((3,7-dimethyl-2-octenyl)oxy)-7-hydroxy-
- SGK3OX19I8
- 8-((3,7-Dimethyl-2-octenyl)oxy)-7-hydroxycoumarin
- SCHEMBL3362802
- DTXSID70897601
- COUMARIN, 8-((3,7-DIMETHYL-2-OCTENYL)OXY)-7-HYDROXY-
- 98299-78-6
- Q5445599
-
- Inchi： 1S/C19H24O4/c1-13(2)5-4-6-14(3)11-12-22-19-16(20)9-7-15-8-10-17(21)23-18(15)19/h7-11,13,20H,4-6,12H2,1-3H3/b14-11+
- InChI Key： ATKUFZHTQAERBN-SDNWHVSQSA-N
- SMILES： O(C1C(=CC=C2C=CC(=O)OC=12)O)C/C=C(\C)/CCCC(C)C
Computed Properties
- Exact Mass: 316.16745924g/mol
- Monoisotopic Mass: 316.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 452
- 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
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: 5.3
- Topological Polar Surface Area: 55.8?2
2H-1-Benzopyran-2-one,8-[(3,7-dimethyl-2-octenyl)oxy]-7-hydroxy- (9CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
4. 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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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