Cas no 868707-84-0 (1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-8-methyl-)
868707-84-0 structure
Product Name:1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-8-methyl-
CAS No:868707-84-0
MF:C10H10O3
MW:178.184603214264
CID:718983
Update Time:2024-01-31
1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-8-methyl- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-8-methyl-
- 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-8-methyl-
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- Inchi： 1S/C10H10O3/c1-7-4-8(6-11)5-9-10(7)13-3-2-12-9/h4-6H,2-3H2,1H3
- InChI Key： VAZVOXRCXASBLG-UHFFFAOYSA-N
- SMILES： O1C2=C(C)C=C(C=O)C=C2OCC1
Computed Properties
- Exact Mass: 178.063
- Monoisotopic Mass: 178.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 193
- 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
- Topological Polar Surface Area: 35.5A^2
Experimental Properties
- Density: 1.217±0.06 g/cm3(Predicted)
- Boiling Point: 295.7±29.0 °C(Predicted)
1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-8-methyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
868707-84-0 (1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-8-methyl-) Related Products
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