Cas no 188893-12-1 (Benzoic acid, 3,4-bis[(11-hydroxyundecyl)oxy]-)
![Benzoic acid, 3,4-bis[(11-hydroxyundecyl)oxy]- structure](https://ossimg.kuujia.com/scimg/189000/188893-12-1x500.png)
188893-12-1 structure
Product Name:Benzoic acid, 3,4-bis[(11-hydroxyundecyl)oxy]-
CAS No:188893-12-1
MF:C29H50O6
MW:494.703710079193
CID:2785929
PubChem ID:10863958
Update Time:2025-04-21
Benzoic acid, 3,4-bis[(11-hydroxyundecyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- 188893-12-1
- Benzoic acid, 3,4-bis[(11-hydroxyundecyl)oxy]-
- SCHEMBL8814503
- DTXSID10446273
-
- Inchi： 1S/C29H50O6/c30-21-15-11-7-3-1-5-9-13-17-23-34-27-20-19-26(29(32)33)25-28(27)35-24-18-14-10-6-2-4-8-12-16-22-31/h19-20,25,30-31H,1-18,21-24H2,(H,32,33)
- InChI Key： VUBCBTMSXDIWNW-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=O)O)C=CC=1OCCCCCCCCCCCO)CCCCCCCCCCCO
Computed Properties
- Exact Mass: 494.36073931Da
- Monoisotopic Mass: 494.36073931Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 35
- Rotatable Bond Count: 25
- Complexity: 472
- 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: 8.5
- Topological Polar Surface Area: 96.2?2
Benzoic acid, 3,4-bis[(11-hydroxyundecyl)oxy]- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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