Cas no 1401413-81-7 (9,12,15-Octadecatrienoic acid; (Z,Z,Z)-form, Heptacosyl ester)
1401413-81-7 structure
Product Name:9,12,15-Octadecatrienoic acid; (Z,Z,Z)-form, Heptacosyl ester
CAS No:1401413-81-7
MF:C45H84O2
MW:657.147274971008
CID:6646962
PubChem ID:134687604
Update Time:2024-03-02
9,12,15-Octadecatrienoic acid; (Z,Z,Z)-form, Heptacosyl ester Chemical and Physical Properties
Names and Identifiers
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- 9,12,15-Octadecatrienoic acid; (Z,Z,Z)-form, Heptacosyl ester
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- Inchi： 1S/C45H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-44-47-45(46)43-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,29H,3-5,7,9-11,13,15-17,19-28,30-44H2,1-2H3/b8-6-,14-12-,29-18-
- InChI Key： YJCGQCACCUECFH-ZEIUANKZSA-N
- SMILES： O(C(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 656.64713192g/mol
- Monoisotopic Mass: 656.64713192g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 47
- Rotatable Bond Count: 40
- Complexity: 676
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 19.9
- Topological Polar Surface Area: 26.3?2
9,12,15-Octadecatrienoic acid; (Z,Z,Z)-form, Heptacosyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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