Cas no 17820-38-1 (2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-7-(phenylmethoxy)-)
17820-38-1 structure
Product Name:2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-7-(phenylmethoxy)-
CAS No:17820-38-1
MF:C17H14O4
MW:282.290665149689
CID:236145
PubChem ID:5381483
Update Time:2025-04-19
2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-7-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
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- 2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-7-(phenylmethoxy)-
- 5-hydroxy-4-methyl-7-phenylmethoxychromen-2-one
- NSC-118808
- DTXSID90419107
- 17820-38-1
- NSC118808
-
- Inchi： 1S/C17H14O4/c1-11-7-16(19)21-15-9-13(8-14(18)17(11)15)20-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3
- InChI Key： KNLRWNHMILLLBD-UHFFFAOYSA-N
- SMILES： O1C(C=C(C)C2C(=CC(=CC1=2)OCC1C=CC=CC=1)O)=O
Computed Properties
- Exact Mass: 282.08922
- Monoisotopic Mass: 282.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 411
- 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: 55.8A^2
- XLogP3: 2.9
Experimental Properties
- Density: 1.293
- Boiling Point: 502.3°Cat760mmHg
- Flash Point: 189.4°C
- Refractive Index: 1.628
- PSA: 55.76
2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-7-(phenylmethoxy)- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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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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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
17820-38-1 (2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-7-(phenylmethoxy)-) Related Products
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- 2107-76-8(5,7-Dihydroxy-4-methylcoumarin)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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