Cas no 14894-87-2 (2H-1-Benzopyran-2-one, 6,7-bis(acetyloxy)-)
14894-87-2 structure
Product Name:2H-1-Benzopyran-2-one, 6,7-bis(acetyloxy)-
CAS No:14894-87-2
MF:C13H10O6
MW:262.214904308319
CID:1320715
PubChem ID:10467861
Update Time:2025-04-20
2H-1-Benzopyran-2-one, 6,7-bis(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 6,7-bis(acetyloxy)-
- ESCULETINDIACETATE
- 6,7-Diacetylesculetin
- 6,7-Diacetoxy-2H-1-benzopyran-2-one
- JPHZGTWMPATBDI-UHFFFAOYSA-N
- SCHEMBL6264767
- BDBM50284535
- (7-acetyloxy-2-oxochromen-6-yl) acetate
- 14894-87-2
- 6,7-diacetoxycoumarin
- 6,7-bis(Acetyloxy)coumarin
- (7-acetoxy-2-oxo-chromen-6-yl) acetate
- CHEMBL3262899
-
- Inchi： 1S/C13H10O6/c1-7(14)17-11-5-9-3-4-13(16)19-10(9)6-12(11)18-8(2)15/h3-6H,1-2H3
- InChI Key： JPHZGTWMPATBDI-UHFFFAOYSA-N
- SMILES： O1C(C=CC2C=C(C(=CC1=2)OC(C)=O)OC(C)=O)=O
Computed Properties
- Exact Mass: 262.0477
- Monoisotopic Mass: 262.04773803g/mol
- 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
- XLogP3: 1.4
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
2H-1-Benzopyran-2-one, 6,7-bis(acetyloxy)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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