Cas no 83823-81-8 (8-(3-Methoxyphenyl)octanal)
8-(3-Methoxyphenyl)octanal structure
Product Name:8-(3-Methoxyphenyl)octanal
CAS No:83823-81-8
MF:C15H22O2
MW:234.333984851837
CID:2804736
PubChem ID:71407184
Update Time:2025-04-21
8-(3-Methoxyphenyl)octanal Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL20964409
- DTXCID40778514
- 83823-81-8
- 8-(3-METHOXYPHENYL)OCTANAL
- DTXSID80827772
- 8-(3-Methoxyphenyl)octanal
-
- Inchi: 1S/C15H22O2/c1-17-15-11-8-10-14(13-15)9-6-4-2-3-5-7-12-16/h8,10-13H,2-7,9H2,1H3
- InChI Key: NLTLYNPJRXZBRC-UHFFFAOYSA-N
- SMILES: O(C)C1=CC=CC(=C1)CCCCCCCC=O
Computed Properties
- Exact Mass: 234.161979940Da
- Monoisotopic Mass: 234.161979940Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 9
- Complexity: 191
- 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: 4.1
- Topological Polar Surface Area: 26.3?2
8-(3-Methoxyphenyl)octanal Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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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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