Cas no 54725-53-0 (Nonadecanoic acid, 18-oxo-, methyl ester)
54725-53-0 structure
Product Name:Nonadecanoic acid, 18-oxo-, methyl ester
CAS No:54725-53-0
MF:C20H38O3
MW:326.51392698288
CID:942724
PubChem ID:536994
Update Time:2025-04-19
Nonadecanoic acid, 18-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonadecanoic acid, 18-oxo-, methyl ester
- AZZAWRHDAHLPQE-UHFFFAOYSA-N
- Methyl 18-oxononadecanoate #
- Methyl 18-oxononadecanoate
- 54725-53-0
-
- Inchi： 1S/C20H38O3/c1-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23-2/h3-18H2,1-2H3
- InChI Key： AZZAWRHDAHLPQE-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCCCCCCCCCCCCC(C)=O)=O
Computed Properties
- Exact Mass: 326.28209507g/mol
- Monoisotopic Mass: 326.28209507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 18
- Complexity: 287
- 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: 6.9
- Topological Polar Surface Area: 43.4?2
Nonadecanoic acid, 18-oxo-, methyl ester Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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