Cas no 82542-96-9 (Butanoic acid, 3-(sulfooxy)-)
Butanoic acid, 3-(sulfooxy)- structure
Product Name:Butanoic acid, 3-(sulfooxy)-
CAS No:82542-96-9
MF:C4H8O6S
MW:184.167720794678
CID:689353
PubChem ID:18954968
Update Time:2025-04-19
Butanoic acid, 3-(sulfooxy)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-(sulfooxy)-
- 3-sulfooxybutanoic acid
- SCHEMBL9293831
- 82542-96-9
- 3-sulooxybutanoic acid
- DTXSID80596835
- 3-(Sulfooxy)butanoic acid
- CHEBI:176476
-
- Inchi： 1S/C4H8O6S/c1-3(2-4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H,7,8,9)
- InChI Key： IELIEVRYBDNUJO-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)OC(C)CC(=O)O
Computed Properties
- Exact Mass: 184.00415914g/mol
- Monoisotopic Mass: 184.00415914g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 224
- 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: -0.9
- Topological Polar Surface Area: 109?2
Butanoic acid, 3-(sulfooxy)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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