Cas no 33047-12-0 (1-Acetyl-2,1-benzisoxazol-3(1H)-one)
33047-12-0 structure
Product Name:1-Acetyl-2,1-benzisoxazol-3(1H)-one
CAS No:33047-12-0
MF:C9H7NO3
MW:177.156782388687
CID:2664958
Update Time:2023-08-06
1-Acetyl-2,1-benzisoxazol-3(1H)-one Chemical and Physical Properties
Names and Identifiers
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- 1-Acetyl-2,1-benzisoxazol-3(1H)-one
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- Inchi： 1S/C9H7NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13-10/h2-5H,1H3
- InChI Key： DEAAWZVTNAJQAZ-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2N1C(C)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 251
- Topological Polar Surface Area: 46.6
1-Acetyl-2,1-benzisoxazol-3(1H)-one Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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