Cas no 62636-89-9 (Benzoic acid, 2-[[5-(5-hydroxy-1-oxopentyl)-2-thienyl]methyl]-)
![Benzoic acid, 2-[[5-(5-hydroxy-1-oxopentyl)-2-thienyl]methyl]- structure](https://ossimg.kuujia.com/scimg/63000/62636-89-9x500.png)
62636-89-9 structure
Product Name:Benzoic acid, 2-[[5-(5-hydroxy-1-oxopentyl)-2-thienyl]methyl]-
CAS No:62636-89-9
MF:C17H18O4S
MW:318.387423992157
CID:437039
PubChem ID:12328262
Update Time:2025-04-19
Benzoic acid, 2-[[5-(5-hydroxy-1-oxopentyl)-2-thienyl]methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-[[5-(5-hydroxy-1-oxopentyl)-2-thienyl]methyl]-
- 2-[[5-(5-hydroxypentanoyl)thiophen-2-yl]methyl]benzoic acid
- 62636-89-9
- DTXSID80489990
- 2-{[5-(5-HYDROXYPENTANOYL)THIOPHEN-2-YL]METHYL}BENZOIC ACID
- 2-[5-(5-hydroxyvaleroyl)-2-thenyl]benzoic acid
-
- Inchi： 1S/C17H18O4S/c18-10-4-3-7-15(19)16-9-8-13(22-16)11-12-5-1-2-6-14(12)17(20)21/h1-2,5-6,8-9,18H,3-4,7,10-11H2,(H,20,21)
- InChI Key： KYJONVYQHXPNCH-UHFFFAOYSA-N
- SMILES： S1C(=CC=C1CC1C=CC=CC=1C(=O)O)C(CCCCO)=O
Computed Properties
- Exact Mass: 318.09264
- Monoisotopic Mass: 318.09258022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 385
- 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: 3.1
- Topological Polar Surface Area: 103?2
Experimental Properties
- PSA: 74.6
Benzoic acid, 2-[[5-(5-hydroxy-1-oxopentyl)-2-thienyl]methyl]- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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
62636-89-9 (Benzoic acid, 2-[[5-(5-hydroxy-1-oxopentyl)-2-thienyl]methyl]-) Related Products
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