Cas no 37601-13-1 (Ethanone,1-(2,1-benzisoxazol-1(3H)-yl)-)
37601-13-1 structure
Product Name:Ethanone,1-(2,1-benzisoxazol-1(3H)-yl)-
CAS No:37601-13-1
MF:C9H9NO2
MW:163.173262357712
CID:296958
PubChem ID:71437406
Update Time:2025-04-19
Ethanone,1-(2,1-benzisoxazol-1(3H)-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2,1-benzisoxazol-1(3H)-yl)-
- 2,1-Benzisoxazole,1-acetyl-1,3-dihydro- (9CI)
- 37601-13-1
- 1-(Benzo[c]isoxazol-1(3H)-yl)ethanone
- N-acetyl-anthranil
-
- Inchi： 1S/C9H9NO2/c1-7(11)10-9-5-3-2-4-8(9)6-12-10/h2-5H,6H2,1H3
- InChI Key： SZZMNORZDRPJJG-UHFFFAOYSA-N
- SMILES： O1CC2C=CC=CC=2N1C(C)=O
Computed Properties
- Exact Mass: 163.06337
- Monoisotopic Mass: 163.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 193
- 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: 29.5A^2
- XLogP3: 0.9
Experimental Properties
- PSA: 29.54
Ethanone,1-(2,1-benzisoxazol-1(3H)-yl)- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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