Cas no 31143-83-6 (4H-3,1-Benzoxazine-2-carboxylicacid, 4-oxo-, ethyl ester)
31143-83-6 structure
Product Name:4H-3,1-Benzoxazine-2-carboxylicacid, 4-oxo-, ethyl ester
CAS No:31143-83-6
MF:C11H9NO4
MW:219.193463087082
CID:307171
PubChem ID:193671
Update Time:2025-04-19
4H-3,1-Benzoxazine-2-carboxylicacid, 4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4H-3,1-Benzoxazine-2-carboxylicacid, 4-oxo-, ethyl ester
- 2-Ethoxycarbonyl-4H-3,1-benzoxazin-4-one
- Ethyl 4-oxo-4H-3,1-benzoxazine-2-carboxylate
- 31143-83-6
- 2-carbethoxy-4h-3,1-benzoxazin-4-one
- DTXSID70953236
- 4H-3,1-Benzoxazine-2-carboxylic acid, 4-oxo-, ethyl ester
- SCHEMBL6999251
- ECBOX
-
- Inchi： 1S/C11H9NO4/c1-2-15-11(14)9-12-8-6-4-3-5-7(8)10(13)16-9/h3-6H,2H2,1H3
- InChI Key： VLBIKPWFWFWRCF-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OCC)=NC2C=CC=CC=2C1=O
Computed Properties
- Exact Mass: 219.05317
- Monoisotopic Mass: 219.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 337
- 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: 1.9
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.96
4H-3,1-Benzoxazine-2-carboxylicacid, 4-oxo-, ethyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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