Cas no 69965-83-9 (3-Dibenzothiophenepropanoic acid)
69965-83-9 structure
Product Name:3-Dibenzothiophenepropanoic acid
CAS No:69965-83-9
MF:C15H12O2S
MW:256.319582939148
CID:2106146
Update Time:2023-08-03
3-Dibenzothiophenepropanoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-Dibenzothiophenepropanoic acid
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- Inchi： 1S/C15H12O2S/c16-15(17)8-6-10-5-7-12-11-3-1-2-4-13(11)18-14(12)9-10/h1-5,7,9H,6,8H2,(H,16,17)
- InChI Key： LXRNOQISWWOGHW-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2C=CC(=CC1=2)CCC(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 318
- XLogP3: 4.1
- Topological Polar Surface Area: 65.5
3-Dibenzothiophenepropanoic acid Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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