Cas no 4188-62-9 (Pentanoic acid, 5-(3-carboxypropoxy)-)
4188-62-9 structure
Product Name:Pentanoic acid, 5-(3-carboxypropoxy)-
CAS No:4188-62-9
MF:C9H16O5
MW:204.220343589783
CID:334822
PubChem ID:18542010
Update Time:2025-04-19
Pentanoic acid, 5-(3-carboxypropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 5-(3-carboxypropoxy)-
- 5-(3-carboxypropoxy)pentanoic acid
- 5-Oxasebacicacid
- Valeric acid, 5-(3-carboxypropoxy)- (7CI,8CI)
- DTXSID90594943
- 4188-62-9
- SCHEMBL4068458
-
- Inchi： 1S/C9H16O5/c10-8(11)4-1-2-6-14-7-3-5-9(12)13/h1-7H2,(H,10,11)(H,12,13)
- InChI Key： WMXNDBRYPCXXCH-UHFFFAOYSA-N
- SMILES： O(CCCC(=O)O)CCCCC(=O)O
Computed Properties
- Exact Mass: 204.09978
- Monoisotopic Mass: 204.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 178
- 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: 0.1
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
Pentanoic acid, 5-(3-carboxypropoxy)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
4188-62-9 (Pentanoic acid, 5-(3-carboxypropoxy)-) Related Products
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