Cas no 68321-62-0 (1,2,4-Triazine-6-carboxylicacid, 2,3,4,5-tetrahydro-2-(3-methylphenyl)-3,5-dioxo-)
68321-62-0 structure
Product Name:1,2,4-Triazine-6-carboxylicacid, 2,3,4,5-tetrahydro-2-(3-methylphenyl)-3,5-dioxo-
CAS No:68321-62-0
MF:C11H9N3O4
MW:247.206862211227
CID:525576
PubChem ID:326198
Update Time:2025-04-19
1,2,4-Triazine-6-carboxylicacid, 2,3,4,5-tetrahydro-2-(3-methylphenyl)-3,5-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Triazine-6-carboxylicacid, 2,3,4,5-tetrahydro-2-(3-methylphenyl)-3,5-dioxo-
- 2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
- DTXSID70315734
- NSC296939
- 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
- 68321-62-0
- 3,5-Dioxo-2-m-tolyl-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carboxylic acid
- NSC-296939
-
- Inchi： 1S/C11H9N3O4/c1-6-3-2-4-7(5-6)14-11(18)12-9(15)8(13-14)10(16)17/h2-5H,1H3,(H,16,17)(H,12,15,18)
- InChI Key： AODRWDUVCNFLGE-UHFFFAOYSA-N
- SMILES： O=C1NC(C(C(=O)O)=NN1C1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 247.059
- Monoisotopic Mass: 247.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 432
- 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
- XLogP3: 1.7
- Topological Polar Surface Area: 99.1?2
Experimental Properties
- Density: 1.53
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.687
1,2,4-Triazine-6-carboxylicacid, 2,3,4,5-tetrahydro-2-(3-methylphenyl)-3,5-dioxo- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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