Cas no 52329-26-7 (Chrysodine)
Chrysodine structure
Product Name:Chrysodine
CAS No:52329-26-7
MF:C19H18O5
MW:326.343225955963
CID:936751
PubChem ID:6450305
Update Time:2025-04-19
Chrysodine Chemical and Physical Properties
Names and Identifiers
-
- Chrysodine
- 6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-3-(1,3,5-heptatrienyl)-7-methyl-, (E,E,E)-(-)-
- [3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate
- 52329-26-7
-
- Inchi： 1S/C19H18O5/c1-4-5-6-7-8-9-15-10-14-11-17(21)19(3,24-13(2)20)18(22)16(14)12-23-15/h4-12H,1-3H3/b5-4+,7-6+,9-8+
- InChI Key： XZRLZOCMYBKPHR-ZAJAATJQSA-N
- SMILES： O(C(C)=O)C1(C)C(C=C2C=C(/C=C/C=C/C=C/C)OC=C2C1=O)=O
Computed Properties
- Exact Mass: 326.11544
- Monoisotopic Mass: 326.115424
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 759
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.6
- Topological Polar Surface Area: 69.7
Experimental Properties
- Density: 1.22
- Boiling Point: 521.4°C at 760 mmHg
- Flash Point: 230.5°C
- Refractive Index: 1.578
- PSA: 69.67
Chrysodine Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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