Cas no 42599-01-9 (Dibutyl 3-oxopentanedioate)
Dibutyl 3-oxopentanedioate structure
Product Name:Dibutyl 3-oxopentanedioate
CAS No:42599-01-9
MF:C13H22O5
MW:258.310784816742
CID:2637962
PubChem ID:12307592
Update Time:2025-04-21
Dibutyl 3-oxopentanedioate Chemical and Physical Properties
Names and Identifiers
-
- dibutyl 3-oxopentanedioate
- DTXSID60486962
- SCHEMBL1010990
- AGN-PC-0NIHHB
- 42599-01-9
- Dibutyl 3-oxopentanedioate
-
- Inchi: 1S/C13H22O5/c1-3-5-7-17-12(15)9-11(14)10-13(16)18-8-6-4-2/h3-10H2,1-2H3
- InChI Key: SAPPVGOXJLSDHG-UHFFFAOYSA-N
- SMILES: O(C(CC(CC(=O)OCCCC)=O)=O)CCCC
Computed Properties
- Exact Mass: 258.14672380Da
- Monoisotopic Mass: 258.14672380Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 247
- 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: 2.5
- Topological Polar Surface Area: 69.7?2
Dibutyl 3-oxopentanedioate Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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5. 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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