Cas no 91660-79-6 (2(3H)-Benzoxazolone,7-hydroxy-)
91660-79-6 structure
Product Name:2(3H)-Benzoxazolone,7-hydroxy-
CAS No:91660-79-6
MF:C7H5NO3
MW:151.119501829147
CID:800006
PubChem ID:15588672
Update Time:2025-04-19
2(3H)-Benzoxazolone,7-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzoxazolone,7-hydroxy-
- Benzo[d]oxazole-2,7-diol
- XRJHHLMYEZQDKI-UHFFFAOYSA-N
- 7-hydroxybenzoxazolin-2(3h)-one
- SCHEMBL4319002
- 7-Hydroxy-3H-benzooxazol-2-one
- 91660-79-6
-
- Inchi： 1S/C7H5NO3/c9-5-3-1-2-4-6(5)11-7(10)8-4/h1-3,9H,(H,8,10)
- InChI Key： XRJHHLMYEZQDKI-UHFFFAOYSA-N
- SMILES： O1C(NC2C=CC=C(C1=2)O)=O
Computed Properties
- Exact Mass: 151.026943022g/mol
- Monoisotopic Mass: 151.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 183
- 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: 0.8
- Topological Polar Surface Area: 58.6?2
2(3H)-Benzoxazolone,7-hydroxy- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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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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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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