Cas no 125460-36-8 (1,3-Benzodioxole, 4,6-dimethyl-)
125460-36-8 structure
Product Name:1,3-Benzodioxole, 4,6-dimethyl-
CAS No:125460-36-8
MF:C9H10O2
MW:150.174502849579
CID:896907
PubChem ID:19913821
Update Time:2025-04-19
1,3-Benzodioxole, 4,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 4,6-dimethyl-
- 4,6-dimethyl-1,3-benzodioxole
- 1,3-Benzodioxole, 4,6-dimethyl-
-
- Inchi： 1S/C9H10O2/c1-6-3-7(2)9-8(4-6)10-5-11-9/h3-4H,5H2,1-2H3
- InChI Key： LBRNQJBOHXMZEG-UHFFFAOYSA-N
- SMILES： O1COC2=CC(C)=CC(C)=C12
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: 147
- 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, 4,6-dimethyl- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
125460-36-8 (1,3-Benzodioxole, 4,6-dimethyl-) Related Products
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