Cas no 61798-16-1 (Butanoic acid, 4-(butylsulfonyl)-)
61798-16-1 structure
Product Name:Butanoic acid, 4-(butylsulfonyl)-
CAS No:61798-16-1
MF:C8H16O4S
MW:208.275241851807
CID:465816
PubChem ID:43615608
Update Time:2025-04-19
Butanoic acid, 4-(butylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-(butylsulfonyl)-
- 4-butylsulfonylbutanoic acid
- DTXSID40656242
- 61798-16-1
- 4-(Butane-1-sulfonyl)butanoic acid
- A1-05516
-
- Inchi: 1S/C8H16O4S/c1-2-3-6-13(11,12)7-4-5-8(9)10/h2-7H2,1H3,(H,9,10)
- InChI Key: HOPCBXPFMJCVLR-UHFFFAOYSA-N
- SMILES: S(CCCC(=O)O)(CCCC)(=O)=O
Computed Properties
- Exact Mass: 208.07698
- Monoisotopic Mass: 208.07693016g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 237
- 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: 0.7
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- PSA: 71.44
Butanoic acid, 4-(butylsulfonyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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