Cas no 898772-35-5 ( )
structure
Product Name:
CAS No:898772-35-5
MF:C11H14O4S
MW:242.291462421417
CID:876645
PubChem ID:24723451
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2-ethoxyethanone
- 5-(1,3-DIOXOLAN-2-YL)-2-(ETHOXYACETYL) THIOPHENE
- 5-(1,3-dioxolan-2-yl)-2-(ethoxyacetyl)thiophene
- DTXSID00641891
- 898772-35-5
- 1-[5-(1,3-Dioxolan-2-yl)thiophen-2-yl]-2-ethoxyethan-1-one
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- Inchi： 1S/C11H14O4S/c1-2-13-7-8(12)9-3-4-10(16-9)11-14-5-6-15-11/h3-4,11H,2,5-7H2,1H3
- InChI Key： FPCVFXJGGOJYTC-UHFFFAOYSA-N
- SMILES： S1C(C(COCC)=O)=CC=C1C1OCCO1
Computed Properties
- Exact Mass: 242.06100
- Monoisotopic Mass: 242.06128010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 240
- 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: 1.3
- Topological Polar Surface Area: 73?2
Experimental Properties
- PSA: 73.00000
- LogP: 2.01270
Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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