Cas no 86989-86-8 (1,3-Benzodioxole, 4,5-dimethyl-)
86989-86-8 structure
Product Name:1,3-Benzodioxole, 4,5-dimethyl-
CAS No:86989-86-8
MF:C9H10O2
MW:150.174502849579
CID:708681
PubChem ID:12958464
Update Time:2025-04-19
1,3-Benzodioxole, 4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 4,5-dimethyl-
- 1,3-Benzodioxole,4,5-dimethyl-
- SCHEMBL8334782
- 86989-86-8
-
- Inchi： 1S/C9H10O2/c1-6-3-4-8-9(7(6)2)11-5-10-8/h3-4H,5H2,1-2H3
- InChI Key： SCDKHILCHXHUQX-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C)C(C)=C12
Computed Properties
- Exact Mass: 150.068079557g/mol
- 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
1,3-Benzodioxole, 4,5-dimethyl- Related Literature
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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