Cas no 122528-40-9 (7-methoxy-2,1-benzisoxazole)
7-methoxy-2,1-benzisoxazole structure
Product Name:7-methoxy-2,1-benzisoxazole
CAS No:122528-40-9
MF:C8H7NO2
MW:149.146682024002
CID:2897124
PubChem ID:11829611
Update Time:2025-04-21
7-methoxy-2,1-benzisoxazole Chemical and Physical Properties
Names and Identifiers
-
- 7-methoxy-2,1-benzisoxazole
- 7-methoxy-benz[c]isoxazole;.7-Methoxy-benz[c]isoxazol;
- SCHEMBL2493163
- 122528-40-9
- DTXSID901310138
- 7-methoxybenzo[c]isoxazole
- PMSMAADVDJSIAA-UHFFFAOYSA-N
-
- Inchi： 1S/C8H7NO2/c1-10-7-4-2-3-6-5-11-9-8(6)7/h2-5H,1H3
- InChI Key： PMSMAADVDJSIAA-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC2=CON=C21
Computed Properties
- Exact Mass: 149.04800
- Monoisotopic Mass: 149.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 1.7
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- PSA: 35.26000
- LogP: 1.83640
7-methoxy-2,1-benzisoxazole Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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