Cas no 6624-98-2 ([1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,9-hydroxy-2,3-dimethoxy-8-(3-methylbutyl)-)
![[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,9-hydroxy-2,3-dimethoxy-8-(3-methylbutyl)- structure](https://ossimg.kuujia.com/scimg/7000/6624-98-2x500.png)
6624-98-2 structure
Product Name:[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,9-hydroxy-2,3-dimethoxy-8-(3-methylbutyl)-
CAS No:6624-98-2
MF:C23H24O6
MW:396.433067321777
CID:525513
PubChem ID:5356251
Update Time:2025-04-19
[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,9-hydroxy-2,3-dimethoxy-8-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
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- [1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,9-hydroxy-2,3-dimethoxy-8-(3-methylbutyl)-
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- Inchi： 1S/C23H24O6/c1-12(2)5-6-13-16(24)8-7-14-22(25)21-15-9-18(26-3)19(27-4)10-17(15)28-11-20(21)29-23(13)14/h7-10,12,24H,5-6,11H2,1-4H3
- InChI Key： OIDYJBPICXFSFO-UHFFFAOYSA-N
- SMILES： O1C2COC3C=C(C(=CC=3C=2C(C2=CC=C(C(=C12)CCC(C)C)O)=O)OC)OC
Computed Properties
- Exact Mass: 396.15732
- Monoisotopic Mass: 396.157289
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 643
- 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
- Topological Polar Surface Area: 74.2
- XLogP3: 4.5
Experimental Properties
- Density: 1.31
- Boiling Point: 590.9°C at 760 mmHg
- Flash Point: 205.5°C
- Refractive Index: 1.622
- PSA: 74.22
- LogP: 4.66380
[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,9-hydroxy-2,3-dimethoxy-8-(3-methylbutyl)- 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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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
6624-98-2 ([1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,9-hydroxy-2,3-dimethoxy-8-(3-methylbutyl)-) Related Products
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