Cas no 61200-11-1 (Isobenzofuran, 1,3-dimethyl-)
Isobenzofuran, 1,3-dimethyl- structure
Product Name:Isobenzofuran, 1,3-dimethyl-
CAS No:61200-11-1
MF:C10H10O
MW:146.185802936554
CID:488727
PubChem ID:12808812
Update Time:2025-04-19
Isobenzofuran, 1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isobenzofuran, 1,3-dimethyl-
- 1,3-dimethyl-2-benzofuran
- AKOS006372743
- DTXSID80510394
- dimethylisobenzofuran
- 61200-11-1
- SCHEMBL2607276
- 1,3-Dimethylisobenzofuran
-
- Inchi： 1S/C10H10O/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-6H,1-2H3
- InChI Key： OGPQLRAVDCGWTM-UHFFFAOYSA-N
- SMILES： O1C(C)=C2C=CC=CC2=C1C
Computed Properties
- Exact Mass: 146.0732
- Monoisotopic Mass: 146.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 128
- 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: 3
- Topological Polar Surface Area: 13.1?2
Experimental Properties
- PSA: 13.14
Isobenzofuran, 1,3-dimethyl- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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