Cas no 35280-08-1 (1H-Pyrazole-3,4-dicarboxylicacid, 1,5-diphenyl-)
35280-08-1 structure
Product Name:1H-Pyrazole-3,4-dicarboxylicacid, 1,5-diphenyl-
CAS No:35280-08-1
MF:C17H12N2O4
MW:308.288184165955
CID:318573
PubChem ID:3015755
Update Time:2025-04-19
1H-Pyrazole-3,4-dicarboxylicacid, 1,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3,4-dicarboxylicacid, 1,5-diphenyl-
- 1,5-diphenylpyrazole-3,4-dicarboxylic acid
- 35280-08-1
- DTXSID90188765
- 1,5-Diphenyl-1H-pyrazole-3,4-dicarboxylic acid
- 1H-Pyrazole-3,4-dicarboxylic acid, 1,5-diphenyl-
-
- Inchi： 1S/C17H12N2O4/c20-16(21)13-14(17(22)23)18-19(12-9-5-2-6-10-12)15(13)11-7-3-1-4-8-11/h1-10H,(H,20,21)(H,22,23)
- InChI Key： NBCLBIHPGKKSNC-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)=NN(C2C=CC=CC=2)C=1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 308.07976
- Monoisotopic Mass: 308.079707
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 444
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.4
- XLogP3: 2.9
Experimental Properties
- Density: 1.36
- Boiling Point: 541.8°C at 760 mmHg
- Flash Point: 281.4°C
- Refractive Index: 1.664
- PSA: 92.42
1H-Pyrazole-3,4-dicarboxylicacid, 1,5-diphenyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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