Cas no 113277-47-7 (methyl 4-oxo-2-propanoylhexanoate)
113277-47-7 structure
Product Name:methyl 4-oxo-2-propanoylhexanoate
CAS No:113277-47-7
MF:C10H16O4
MW:200.231643676758
CID:2610325
PubChem ID:11830437
Update Time:2025-04-21
methyl 4-oxo-2-propanoylhexanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-oxo-2-propanoylhexanoate
- 113277-47-7
- DTXSID60474081
- Hexanoic acid, 4-oxo-2-(1-oxopropyl)-, methyl ester
-
- Inchi： 1S/C10H16O4/c1-4-7(11)6-8(9(12)5-2)10(13)14-3/h8H,4-6H2,1-3H3
- InChI Key： UFYYAMGZCXXJQP-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(CC)=O)CC(CC)=O)=O
Computed Properties
- Exact Mass: 200.10485899Da
- Monoisotopic Mass: 200.10485899Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 232
- 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: 0.6
- Topological Polar Surface Area: 60.4?2
methyl 4-oxo-2-propanoylhexanoate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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