Cas no 62527-78-0 (Propanedioic acid, propoxy-, methyl propyl ester)
62527-78-0 structure
Product Name:Propanedioic acid, propoxy-, methyl propyl ester
CAS No:62527-78-0
MF:C10H18O5
MW:218.246923923492
CID:441528
PubChem ID:71385508
Update Time:2025-04-19
Propanedioic acid, propoxy-, methyl propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, propoxy-, methyl propyl ester
- 1-O-methyl 3-O-propyl 2-propoxypropanedioate
- Methyl propyl propoxypropanedioate
- 62527-78-0
- DTXSID80807736
-
- Inchi： 1S/C10H18O5/c1-4-6-14-8(9(11)13-3)10(12)15-7-5-2/h8H,4-7H2,1-3H3
- InChI Key： YTRJJPGHNNBGMA-UHFFFAOYSA-N
- SMILES： O(CCC)C(C(=O)OC)C(=O)OCCC
Computed Properties
- Exact Mass: 218.11544
- Monoisotopic Mass: 218.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 202
- 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: 1.9
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
Propanedioic acid, propoxy-, methyl propyl ester Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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