Cas no 54889-72-4 (3-Oxopentadecanoic acid methyl ester)
54889-72-4 structure
Product Name:3-Oxopentadecanoic acid methyl ester
CAS No:54889-72-4
MF:C16H30O3
MW:270.407605648041
CID:2186927
PubChem ID:575671
Update Time:2025-04-21
3-Oxopentadecanoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Oxopentadecanoic acid methyl ester
- methyl 3-oxopentadecanoate
- DTXSID80341781
- Methyl 3-oxopentadecanoate #
- DTXCID40292861
- SCHEMBL6138959
- 54889-72-4
- Pentadecanoic acid, 3-oxo-, methyl ester
- DB-324614
-
- Inchi： 1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19-2/h3-14H2,1-2H3
- InChI Key： CFDZNJRIILJIAU-UHFFFAOYSA-N
- SMILES： O=C(CC(=O)OC)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 270.219
- Monoisotopic Mass: 270.219
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 14
- Complexity: 236
- 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: 5.7
- Topological Polar Surface Area: 43.4?2
3-Oxopentadecanoic acid methyl ester Related Literature
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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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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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