Cas no 6337-57-1 ( )
structure
Product Name:
CAS No:6337-57-1
MF:C19H20O4Th
MW:544.397807121277
CID:960011
PubChem ID:54605495
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-[4-[3-[4-(carboxymethyl)phenyl]propyl]phenyl]acetic acid,thorium
- NSC37521
- NSC-37521
- 2,2'-[Propane-1,3-diyldi(4,1-phenylene)]diacetic acid--thorium (1/1)
- DS-003866
- 2-[4-[3-[4-(carboxymethyl)phenyl]propyl]phenyl]acetic acid
- 6337-57-1
- DTXSID80714057
-
-
- Inchi： 1S/C19H20O4.Th/c20-18(21)12-16-8-4-14(5-9-16)2-1-3-15-6-10-17(11-7-15)13-19(22)23;/h4-11H,1-3,12-13H2,(H,20,21)(H,22,23);
- InChI Key： QRNNRDALGLRZLI-UHFFFAOYSA-N
- SMILES： [Th].OC(CC1C=CC(=CC=1)CCCC1C=CC(CC(=O)O)=CC=1)=O
Computed Properties
- Exact Mass: 312.1362
- Monoisotopic Mass: 544.174
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 341
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6A^2
Experimental Properties
- Density: 1.228
- Boiling Point: 518.1°C at 760 mmHg
- Flash Point: 281.2°C
- Refractive Index: 1.601
- PSA: 74.6
- LogP: 3.11610
Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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