Cas no 42361-63-7 (1,2,2-Propanetricarboxylic acid, 3-phenyl-)
42361-63-7 structure
Product Name:1,2,2-Propanetricarboxylic acid, 3-phenyl-
CAS No:42361-63-7
MF:C12H12O6
MW:252.220084190369
CID:2198920
Update Time:2023-08-07
1,2,2-Propanetricarboxylic acid, 3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,2-Propanetricarboxylic acid, 3-phenyl-
-
- Inchi： 1S/C12H12O6/c13-9(14)7-12(10(15)16,11(17)18)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H,15,16)(H,17,18)
- InChI Key： LWXQSPKQKWURET-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)(CC(=O)O)CC1C=CC=CC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 329
- Topological Polar Surface Area: 112
1,2,2-Propanetricarboxylic acid, 3-phenyl- Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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