Cas no 4686-99-1 (2,5-Bispropyloxybenzaldehyde)
2,5-Bispropyloxybenzaldehyde structure
Product Name:2,5-Bispropyloxybenzaldehyde
CAS No:4686-99-1
MF:C13H18O3
MW:222.280224323273
CID:2129127
Update Time:2023-08-04
2,5-Bispropyloxybenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 2,5-bispropyloxybenzaldehyde
- 2,5-Bispropyloxybenzaldehyde
-
- Inchi: 1S/C13H18O3/c1-3-7-15-12-5-6-13(16-8-4-2)11(9-12)10-14/h5-6,9-10H,3-4,7-8H2,1-2H3
- InChI Key: NADIKWZQGLHOLY-UHFFFAOYSA-N
- SMILES: O(CCC)C1C=CC(=CC=1C=O)OCCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 194
- XLogP3: 3.1
- Topological Polar Surface Area: 35.5
2,5-Bispropyloxybenzaldehyde Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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