Cas no 104700-86-9 (Hexadecanoic acid,15-methyl-, 2,3-dihydroxypropyl ester (9CI))
104700-86-9 structure
Product Name:Hexadecanoic acid,15-methyl-, 2,3-dihydroxypropyl ester (9CI)
CAS No:104700-86-9
MF:C20H40O4
MW:344.529207229614
CID:214722
PubChem ID:128632
Update Time:2025-04-19
Hexadecanoic acid,15-methyl-, 2,3-dihydroxypropyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Hexadecanoic acid,15-methyl-, 2,3-dihydroxypropyl ester (9CI)
- 2,3-Dihydroxypropyl 15-methylhexadecanoate
- Aggreceride C
- 15-Methylhexadecanoic acid 2,3-dihydroxypropyl ester
- Hexadecanoic acid, 15-methyl-, 2,3-dihydroxypropyl ester
- SCHEMBL17866841
- DTXSID80909143
- 104700-86-9
-
- Inchi： 1S/C20H40O4/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20(23)24-17-19(22)16-21/h18-19,21-22H,3-17H2,1-2H3
- InChI Key： NYBWZWSQGCROAE-UHFFFAOYSA-N
- SMILES： O(CC(CO)O)C(CCCCCCCCCCCCCC(C)C)=O
Computed Properties
- Exact Mass: 344.29265975g/mol
- Monoisotopic Mass: 344.29265975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 18
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.6
- Topological Polar Surface Area: 66.8?2
Hexadecanoic acid,15-methyl-, 2,3-dihydroxypropyl ester (9CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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