Cas no 70886-50-9 (Octanoic acid,2-[4-[4-[(1-carboxyheptyl)oxy]-3-methylphenoxy]phenoxy]-)
![Octanoic acid,2-[4-[4-[(1-carboxyheptyl)oxy]-3-methylphenoxy]phenoxy]- structure](https://ossimg.kuujia.com/scimg/71000/70886-50-9x500.png)
70886-50-9 structure
Product Name:Octanoic acid,2-[4-[4-[(1-carboxyheptyl)oxy]-3-methylphenoxy]phenoxy]-
CAS No:70886-50-9
MF:C29H40O7
MW:500.62370967865
CID:566380
PubChem ID:3054109
Update Time:2025-04-19
Octanoic acid,2-[4-[4-[(1-carboxyheptyl)oxy]-3-methylphenoxy]phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid,2-[4-[4-[(1-carboxyheptyl)oxy]-3-methylphenoxy]phenoxy]-
- 2-(4-(4-((1-Carboxyheptyl)oxy)-3-methylphenoxy)phenoxy)octanoic acid
- 2-[4-[4-(1-carboxyheptoxy)-3-methylphenoxy]phenoxy]octanoic acid
- DTXSID20991168
- Acide ((carboxy-1 heptyloxy)-4 phenoxy)-4' methyl-2' phenoxy-2 octanoique [French]
- 70886-50-9
- 2-(4-{4-[(1-CARBOXYHEPTYL)OXY]-3-METHYLPHENOXY}PHENOXY)OCTANOIC ACID
- Octanoic acid, 2-(4-(4-((1-carboxyheptyl)oxy)-3-methylphenoxy)phenoxy)-
- Acide ((carboxy-1 heptyloxy)-4 phenoxy)-4' methyl-2' phenoxy-2 octanoique
-
- Inchi： 1S/C29H40O7/c1-4-6-8-10-12-26(28(30)31)35-23-16-14-22(15-17-23)34-24-18-19-25(21(3)20-24)36-27(29(32)33)13-11-9-7-5-2/h14-20,26-27H,4-13H2,1-3H3,(H,30,31)(H,32,33)
- InChI Key： XELNWKHCERZVPT-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1C)OC1C=CC(=CC=1)OC(C(=O)O)CCCCCC)C(C(=O)O)CCCCCC
Computed Properties
- Exact Mass: 500.2775
- Monoisotopic Mass: 500.27740361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 36
- Rotatable Bond Count: 18
- Complexity: 617
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.8
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 102.29
Octanoic acid,2-[4-[4-[(1-carboxyheptyl)oxy]-3-methylphenoxy]phenoxy]- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
70886-50-9 (Octanoic acid,2-[4-[4-[(1-carboxyheptyl)oxy]-3-methylphenoxy]phenoxy]-) Related Products
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