Cas no 57544-05-5 (8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene)
57544-05-5 structure
Product Name:8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene
CAS No:57544-05-5
MF:C17H15NO5
MW:313.304704904556
CID:2832981
PubChem ID:381073
Update Time:2025-04-21
8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene Chemical and Physical Properties
Names and Identifiers
-
- NCI60_023397
- NSC667223
- Hydroxy(8-methoxy-2-(4-methoxyphenyl)-2H-chromen-3-yl)azane oxide
- 8-methoxy-3-nitro-2-(4-methoxyphenyl)-2h-chromene
- CHEMBL1968403
- DTXSID90327576
- NSC-667223
- SCHEMBL16602961
- 57544-05-5
- 8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene
-
- Inchi： 1S/C17H15NO5/c1-21-13-8-6-11(7-9-13)16-14(18(19)20)10-12-4-3-5-15(22-2)17(12)23-16/h3-10,16H,1-2H3
- InChI Key： JRKDJDBATCWDAD-UHFFFAOYSA-N
- SMILES： O1C2C(=CC=CC=2C=C(C1C1C=CC(=CC=1)OC)[N+](=O)[O-])OC
Computed Properties
- Exact Mass: 313.09502258Da
- Monoisotopic Mass: 313.09502258Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 452
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 73.5?2
8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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