Cas no 4482-52-4 ( )
structure
Product Name:
CAS No:4482-52-4
MF:C18H16O4
MW:296.317245483398
CID:929665
PubChem ID:266036
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Diphenylcyclobutane-3,4-dicarboxylic acid
- 3,4-diphenylcyclobutane-1,2-dicarboxylic acid
- 1, 3,4-diphenyl-
- QVNDSQQNODQYJM-UHFFFAOYSA-N
- SCHEMBL3482659
- 4482-52-4
- DTXSID60963283
- .beta.-Truxinic acid
- NSC-103002
- 1,2-Cyclobutanedicarboxylic acid, 3,4-diphenyl-
- 528-34-7
- 3,4-Diphenyl-1,2-cyclobutanedicarboxylic acid #
- NSC126893
- Truxinic acid
- DS-008218
- NSC-126893
- 1,2-Cyclobutanedicarboxylic acid,3,4-diphenyl-
- NSC103002
-
-
- Inchi： 1S/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)14(16(15)18(21)22)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)
- InChI Key： QVNDSQQNODQYJM-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)C(C2C=CC=CC=2)C1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 296.10488
- Monoisotopic Mass: 296.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 381
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Related Literature
-
Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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