Cas no 895240-89-8 (Benzaldehyde, 4-methoxy-3-(4-methoxybutyl)-)
895240-89-8 structure
Product Name:Benzaldehyde, 4-methoxy-3-(4-methoxybutyl)-
CAS No:895240-89-8
MF:C13H18O3
MW:222.280224323273
CID:1942389
PubChem ID:86248146
Update Time:2025-04-21
Benzaldehyde, 4-methoxy-3-(4-methoxybutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-methoxy-3-(4-methoxybutyl)-
- TTYYPYISIMGOPP-UHFFFAOYSA-N
- 895240-89-8
- DB-106877
- SCHEMBL2933054
- 4-Methoxy-3-(4-methoxy-butyl)-benzaldehyde
-
- Inchi： 1S/C13H18O3/c1-15-8-4-3-5-12-9-11(10-14)6-7-13(12)16-2/h6-7,9-10H,3-5,8H2,1-2H3
- InChI Key： TTYYPYISIMGOPP-UHFFFAOYSA-N
- SMILES： O(C)CCCCC1C=C(C=O)C=CC=1OC
Computed Properties
- Exact Mass: 222.125594432Da
- Monoisotopic Mass: 222.125594432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 194
- 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: 2.7
- Topological Polar Surface Area: 35.5?2
Benzaldehyde, 4-methoxy-3-(4-methoxybutyl)- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
895240-89-8 (Benzaldehyde, 4-methoxy-3-(4-methoxybutyl)-) Related Products
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