Cas no 21784-71-4 (2H-1-Benzopyran-2-one,7,8-bis(acetyloxy)-)
21784-71-4 structure
Product Name:2H-1-Benzopyran-2-one,7,8-bis(acetyloxy)-
CAS No:21784-71-4
MF:C13H10O6
MW:262.214904308319
CID:276222
PubChem ID:327277
Update Time:2025-04-19
2H-1-Benzopyran-2-one,7,8-bis(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one,7,8-bis(acetyloxy)-
- (8-acetyloxy-2-oxochromen-7-yl) acetate
- 7,8-diacetoxy-4-methylcoumarin
- 7,8-diacetoxy-chromen-2-one
- 7,8-diacetoxy-coumarin
- 7,8-Diacetoxycoumarin
- 7,8-Diacetoxy-cumarin
- CCG-36375
- DAPHNETIN DIACETATE
- Daphnetindiacetat
- Diacetyl-daphnetin
- NCI60_002533
- NSC301683
- 7.8-Diacetoxy-cumarin
- DTXSID40316298
- CHEMBL1993632
- 21784-71-4
- NSC-301683
-
- Inchi： 1S/C13H10O6/c1-7(14)17-10-5-3-9-4-6-11(16)19-12(9)13(10)18-8(2)15/h3-6H,1-2H3
- InChI Key： PXWILQNNCIKVND-UHFFFAOYSA-N
- SMILES： O1C(C=CC2C=CC(=C(C1=2)OC(C)=O)OC(C)=O)=O
Computed Properties
- Exact Mass: 262.0477
- Monoisotopic Mass: 262.047738
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 427
- 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: 78.9
- XLogP3: 1.4
Experimental Properties
- Density: 1.363
- Boiling Point: 445.7°Cat760mmHg
- Flash Point: 201.5°C
- Refractive Index: 1.562
- PSA: 78.9
- LogP: 1.64360
2H-1-Benzopyran-2-one,7,8-bis(acetyloxy)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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