Cas no 15675-06-6 (1,3-Benzodioxole, 5,6-dimethyl-)
15675-06-6 structure
Product Name:1,3-Benzodioxole, 5,6-dimethyl-
CAS No:15675-06-6
MF:C9H10O2
MW:150.174502849579
CID:121116
PubChem ID:12488899
Update Time:2025-04-18
1,3-Benzodioxole, 5,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 5,6-dimethyl-
- 1,3-Benzodioxole, 5,6-dimethyl-
- 15675-06-6
- SCHEMBL8005199
- 5,6-Dimethyl-1,3-benzodioxole
-
- Inchi： 1S/C9H10O2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-4H,5H2,1-2H3
- InChI Key： MGZFIGITZDAXPY-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C)C(C)=CC1=2
Computed Properties
- Exact Mass: 150.0681
- Monoisotopic Mass: 150.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 131
- 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: 2.5
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-Benzodioxole, 5,6-dimethyl- Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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