Cas no 32910-75-1 (4-(pentylsulfonyl)benzoic acid)
32910-75-1 structure
Product Name:4-(pentylsulfonyl)benzoic acid
CAS No:32910-75-1
MF:C12H16O4S
MW:256.318042755127
CID:1453960
PubChem ID:181122
Update Time:2025-04-20
4-(pentylsulfonyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(pentylsulfonyl)benzoic acid
- 4-pentylsulfonylbenzoic acid
- DTXSID30954567
- 4-(Pentane-1-sulfonyl)benzoic acid
- DA-22141
- Benzoic acid, p-(pentylsulfonyl)-
- AKOS000178173
- 32910-75-1
-
- Inchi： 1S/C12H16O4S/c1-2-3-4-9-17(15,16)11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
- InChI Key： PONXTRASYKQAIS-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(=O)O)=CC=1)(CCCCC)(=O)=O
Computed Properties
- Exact Mass: 256.07698
- Monoisotopic Mass: 256.077
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 334
- 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: 79.8?2
Experimental Properties
- Density: 1.221
- Boiling Point: 453.3°C at 760 mmHg
- Flash Point: 228°C
- Refractive Index: 1.531
- PSA: 71.44
4-(pentylsulfonyl)benzoic acid Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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