Cas no 163977-85-3 (4H-1-Benzopyran-8-aceticacid, 3-amino-4-oxo-2-phenyl-)
163977-85-3 structure
Product Name:4H-1-Benzopyran-8-aceticacid, 3-amino-4-oxo-2-phenyl-
CAS No:163977-85-3
MF:C17H13NO4
MW:295.289424657822
CID:110394
PubChem ID:10935302
Update Time:2025-04-18
4H-1-Benzopyran-8-aceticacid, 3-amino-4-oxo-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-8-aceticacid, 3-amino-4-oxo-2-phenyl-
- 2-(3-amino-4-oxo-2-phenylchromen-8-yl)acetic acid
- 4H-1-Benzopyran-8-aceticacid,3-amino-4-oxo-2-phenyl-(9CI)
- DTXSID50448973
- CHEMBL1180549
- 4h-1-benzopyran-8acetic acid,3-amino-4-oxo-2-phenyl-
- 2-(3-Amino-4-oxo-2-phenyl-4H-chromen-8-yl)acetic acid
- (3-Amino-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)acetic acid
- 163977-85-3
-
- Inchi： 1S/C17H13NO4/c18-14-15(21)12-8-4-7-11(9-13(19)20)16(12)22-17(14)10-5-2-1-3-6-10/h1-8H,9,18H2,(H,19,20)
- InChI Key： OOAPEBJZOWKYDD-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C(C(C2C=CC=C(CC(=O)O)C1=2)=O)N
Computed Properties
- Exact Mass: 295.08449
- Monoisotopic Mass: 295.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 493
- 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: 2.2
- Topological Polar Surface Area: 89.6?2
Experimental Properties
- PSA: 89.62
4H-1-Benzopyran-8-aceticacid, 3-amino-4-oxo-2-phenyl- 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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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