Cas no 294853-04-6 (2H-1,2,3-Triazole-4,5-dicarboxylicacid)
294853-04-6 structure
Product Name:2H-1,2,3-Triazole-4,5-dicarboxylicacid
CAS No:294853-04-6
MF:C4H3N3O4
MW:157.084320306778
CID:249174
PubChem ID:256341
Update Time:2025-04-19
2H-1,2,3-Triazole-4,5-dicarboxylicacid Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,2,3-Triazole-4,5-dicarboxylicacid
- NSC 83126
- NSC-83126
- CS-0018654
- 1,2,3-Triazole-4,5-dicarboxylic acid
- KUC107934N
- MFCD00005246
- 294853-04-6
- FT-0606222
- v-Triazole-4,5-dicarboxylic acid
- 1,2,3-Triazole-4,5-dicarboxylic acid, 98%
- AKOS005428469
- SY247523
- W17754
- 2H-triazole-4,5-dicarboxylic acid
- KSC-20-108
- 1H-triazole-4,5-dicarboxylic acid
- EU-0034470
- 1H-1,2,3-Triazole-4,5-dicarboxylic acid #
- SCHEMBL211857
- 4,5-Dicarboxy-1,2,3-triazole
- 4546-95-6
- SR-01000397580-1
- NSC83126
- AKOS004912690
- YSWG086
- TZFOEYRGARRRGO-UHFFFAOYSA-N
- CHEMBL324653
- AS-62906
- 1H-1,2,3-Triazole-4,5-dicarboxylic acid
- SR-01000397580
- SCHEMBL11029352
- 2h-1,2,3-triazole-4,5-dicarboxylic acid
-
- Inchi： 1S/C4H3N3O4/c8-3(9)1-2(4(10)11)6-7-5-1/h(H,8,9)(H,10,11)(H,5,6,7)
- InChI Key： TZFOEYRGARRRGO-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)=NNN=1)=O
Computed Properties
- Exact Mass: 157.012
- Monoisotopic Mass: 157.012
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 116A^2
- XLogP3: -0.7
Experimental Properties
- Density: 1.981
- Boiling Point: 587.9°C at 760 mmHg
- Flash Point: 309.3°C
- Refractive Index: 1.702
2H-1,2,3-Triazole-4,5-dicarboxylicacid Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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