Cas no 5637-94-5 (Furo[3,4-e]-1,2,4-triazine-5,7-dione)
5637-94-5 structure
Product Name:Furo[3,4-e]-1,2,4-triazine-5,7-dione
CAS No:5637-94-5
MF:C5HN3O3
MW:151.079740285873
CID:385001
PubChem ID:53438580
Update Time:2025-04-19
Furo[3,4-e]-1,2,4-triazine-5,7-dione Chemical and Physical Properties
Names and Identifiers
-
- Furo[3,4-e]-1,2,4-triazine-5,7-dione
- as-Triazine-5,6-dicarboxylicanhydride(6CI,8CI)
- furo[3,4-e][1,2,4]triazine-5,7-dione
- Benzoic acid, 4-[(E)-[2-(4,5-dimethyl-2-thiazolyl)hydrazinylidene]methyl]-, methyl ester
- Methyl 4-{(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazono]methyl}benzoate
- DTXSID70701375
- SCHEMBL4069618
- 5637-94-5
-
- Inchi: 1S/C5HN3O3/c9-4-2-3(5(10)11-4)8-7-1-6-2/h1H
- InChI Key: CGOKRQRZKZZXFA-UHFFFAOYSA-N
- SMILES: O1C(C2C(C1=O)=NC=NN=2)=O
Computed Properties
- Exact Mass: 289.08865
- Monoisotopic Mass: 151.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 217
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -0.8
- Topological Polar Surface Area: 82A^2
Experimental Properties
- Density: 1.25
- Boiling Point: 447.4°Cat760mmHg
- Flash Point: 224.4°C
- Refractive Index: 1.615
- PSA: 63.58
Furo[3,4-e]-1,2,4-triazine-5,7-dione Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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