Cas no 15798-79-5 (2H-Furo[2,3-h]-1-benzopyran-2-one,3,4,8-trimethyl-)
![2H-Furo[2,3-h]-1-benzopyran-2-one,3,4,8-trimethyl- structure](https://ossimg.kuujia.com/scimg/16000/15798-79-5x500.png)
15798-79-5 structure
Product Name:2H-Furo[2,3-h]-1-benzopyran-2-one,3,4,8-trimethyl-
CAS No:15798-79-5
MF:C14H12O3
MW:228.243284225464
CID:232619
PubChem ID:14213848
Update Time:2025-04-19
2H-Furo[2,3-h]-1-benzopyran-2-one,3,4,8-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Furo[2,3-h]-1-benzopyran-2-one,3,4,8-trimethyl-
- ANGELICIN,3,4,5'-TRIMETHYL
- DTXSID20877438
- 3,4,5'-Trimethyangelicin
- 15798-79-5
-
- Inchi： 1S/C14H12O3/c1-7-6-11-12(16-7)5-4-10-8(2)9(3)14(15)17-13(10)11/h4-6H,1-3H3
- InChI Key： BQDWBWGFNVYGCP-UHFFFAOYSA-N
- SMILES： O1C(C(C)=C(C)C2C=CC3=C(C=C(C)O3)C1=2)=O
Computed Properties
- Exact Mass: 602.981675
- Monoisotopic Mass: 602.981675
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 38
- Rotatable Bond Count: 7
- Complexity: 1120
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 178
- XLogP3: 3
2H-Furo[2,3-h]-1-benzopyran-2-one,3,4,8-trimethyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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