Cas no 91007-05-5 (Ethyl 4-methyl-3-oxoheptanoate)
91007-05-5 structure
Product Name:Ethyl 4-methyl-3-oxoheptanoate
CAS No:91007-05-5
MF:C10H18O3
MW:186.248123645782
CID:2813198
PubChem ID:14400116
Update Time:2025-04-21
Ethyl 4-methyl-3-oxoheptanoate Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL2905279
- 91007-05-5
- DTXSID00559841
- DTXCID70510621
- Ethyl 4-methyl-3-oxoheptanoate
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- Inchi： 1S/C10H18O3/c1-4-6-8(3)9(11)7-10(12)13-5-2/h8H,4-7H2,1-3H3
- InChI Key： AWVLEEPOJNLLNE-UHFFFAOYSA-N
- SMILES： O=C(CC(=O)OCC)C(C)CCC
Computed Properties
- Exact Mass: 186.125594432Da
- Monoisotopic Mass: 186.125594432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 175
- 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: 2.3
- Topological Polar Surface Area: 43.4?2
Ethyl 4-methyl-3-oxoheptanoate Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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