Cas no 105918-58-9 (3-(2-methyl-9-oxothioxanthen-4-yl)propanoic Acid)
105918-58-9 structure
Product Name:3-(2-methyl-9-oxothioxanthen-4-yl)propanoic Acid
CAS No:105918-58-9
MF:C17H14O3S
MW:298.356263637543
CID:1163518
PubChem ID:71333926
Update Time:2025-04-20
3-(2-methyl-9-oxothioxanthen-4-yl)propanoic Acid Chemical and Physical Properties
Names and Identifiers
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- 3-(2-methyl-9-oxothioxanthen-4-yl)propanoic Acid
- 105918-58-9
- DTXSID10762107
- 3-(2-METHYL-9-OXO-9H-THIOXANTHEN-4-YL)PROPANOIC ACID
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- Inchi： 1S/C17H14O3S/c1-10-8-11(6-7-15(18)19)17-13(9-10)16(20)12-4-2-3-5-14(12)21-17/h2-5,8-9H,6-7H2,1H3,(H,18,19)
- InChI Key： ZUZUFSFBZBIEJU-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C(C2=CC(C)=CC(CCC(=O)O)=C12)=O
Computed Properties
- Exact Mass: 298.06636548g/mol
- Monoisotopic Mass: 298.06636548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 422
- 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: 3.6
- Topological Polar Surface Area: 79.7?2
3-(2-methyl-9-oxothioxanthen-4-yl)propanoic Acid Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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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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