Cas no 62896-81-5 (Isobenzofuran, 1,3-dihydro-4,7-dimethyl-)
62896-81-5 structure
Product Name:Isobenzofuran, 1,3-dihydro-4,7-dimethyl-
CAS No:62896-81-5
MF:C10H12O
MW:148.201683044434
CID:429120
PubChem ID:68197058
Update Time:2025-04-19
Isobenzofuran, 1,3-dihydro-4,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isobenzofuran, 1,3-dihydro-4,7-dimethyl-
- 4,7-dimethyl-1,3-dihydro-2-benzofuran
- 62896-81-5
- DTXSID20738131
- SCHEMBL12016679
- 4,7-Dimethyl-1,3-dihydroisobenzofuran
-
- Inchi： 1S/C10H12O/c1-7-3-4-8(2)10-6-11-5-9(7)10/h3-4H,5-6H2,1-2H3
- InChI Key： HEGPFAVXPBSITO-UHFFFAOYSA-N
- SMILES： O1CC2C(C)=CC=C(C)C=2C1
Computed Properties
- Exact Mass: 148.08886
- Monoisotopic Mass: 148.088815002g/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: 1.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Isobenzofuran, 1,3-dihydro-4,7-dimethyl- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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