Cas no 40710-36-9 (Nonahexacontanoic acid methyl ester)
40710-36-9 structure
Product Name:Nonahexacontanoic acid methyl ester
CAS No:40710-36-9
MF:C70H140O2
MW:1013.85942363739
CID:2667706
Update Time:2023-08-06
Nonahexacontanoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
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- Nonahexacontanoic acid methyl ester
-
- Inchi： 1S/C70H140O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69-70(71)72-2/h3-69H2,1-2H3
- InChI Key： WBCYUBACRBFRAF-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 1013.085
- Monoisotopic Mass: 1013.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 72
- Rotatable Bond Count: 68
- Complexity: 928
- 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: 36.6
- Topological Polar Surface Area: 26.3
Nonahexacontanoic acid methyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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
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