Cas no 7468-13-5 ( )
structure
Product Name:
CAS No:7468-13-5
MF:C16H16O4S
MW:304.360843658447
CID:979823
PubChem ID:344055
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-oxo-3-(2-phenylethoxy)-2-(thiophen-2-ylmethyl)propanoic acid
- DTXSID20322236
- NSC400736
- NSC-400736
- 3-oxo-3-phenethyloxy-2-(thiophen-2-ylmethyl)propanoic acid
- 7468-13-5
- DS-014318
-
-
- Inchi： 1S/C16H16O4S/c17-15(18)14(11-13-7-4-10-21-13)16(19)20-9-8-12-5-2-1-3-6-12/h1-7,10,14H,8-9,11H2,(H,17,18)
- InChI Key： UUXHMVYYKKIRHG-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CC(C(=O)O)C(=O)OCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 304.07698
- Monoisotopic Mass: 304.07693016g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 352
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 91.8?2
Experimental Properties
- PSA: 63.6
Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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