Cas no 160532-43-4 (2-Pyrazinecarboxylicacid, 4,5-dihydro-5,6-dimethyl-)
160532-43-4 structure
Product Name:2-Pyrazinecarboxylicacid, 4,5-dihydro-5,6-dimethyl-
CAS No:160532-43-4
MF:C7H10N2O2
MW:154.166501522064
CID:109518
PubChem ID:45082100
Update Time:2025-04-18
2-Pyrazinecarboxylicacid, 4,5-dihydro-5,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrazinecarboxylicacid, 4,5-dihydro-5,6-dimethyl-
- 2,3-dimethyl-1,2-dihydropyrazine-5-carboxylic acid
- Pyrazinecarboxylic acid, 4,5-dihydro-5,6-dimethyl- (9CI)
- 160532-43-4
- 5,6-Dimethyl-4,5-dihydropyrazine-2-carboxylicacid
- 5,6-Dimethyl-4,5-dihydropyrazine-2-carboxylic acid
- DTXSID60665093
-
- Inchi： 1S/C7H10N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3-4,8H,1-2H3,(H,10,11)
- InChI Key： FBLPGKDJLXLMFF-UHFFFAOYSA-N
- SMILES： OC(C1=CNC(C)C(C)=N1)=O
Computed Properties
- Exact Mass: 154.0743
- Monoisotopic Mass: 154.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.7A^2
- XLogP3: 0.2
Experimental Properties
- PSA: 61.69
2-Pyrazinecarboxylicacid, 4,5-dihydro-5,6-dimethyl- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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