Cas no 89346-90-7 (1,3-Benzodioxole, 5-(4-methoxyphenyl)-)
89346-90-7 structure
Product Name:1,3-Benzodioxole, 5-(4-methoxyphenyl)-
CAS No:89346-90-7
MF:C14H12O3
MW:228.243284225464
CID:603545
PubChem ID:11424700
Update Time:2025-04-19
1,3-Benzodioxole, 5-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 5-(4-methoxyphenyl)-
- 5-(4-methoxyphenyl)-1,3-benzodioxole
- SCHEMBL6482119
- DTXSID70465460
- 89346-90-7
-
- Inchi： 1S/C14H12O3/c1-15-12-5-2-10(3-6-12)11-4-7-13-14(8-11)17-9-16-13/h2-8H,9H2,1H3
- InChI Key： NSWYPWQILGSHFS-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(=CC1=2)C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 228.078644241g/mol
- Monoisotopic Mass: 228.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 248
- 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: 3.5
- Topological Polar Surface Area: 27.7?2
1,3-Benzodioxole, 5-(4-methoxyphenyl)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
89346-90-7 (1,3-Benzodioxole, 5-(4-methoxyphenyl)-) Related Products
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