Cas no 492998-68-2 (1H-Pyrazole-1-carboxylicacid,3,5-dimethyl-(9CI))
492998-68-2 structure
Product Name:1H-Pyrazole-1-carboxylicacid,3,5-dimethyl-(9CI)
CAS No:492998-68-2
MF:C6H8N2O2
MW:140.139921188354
CID:1017602
PubChem ID:841314
Update Time:2025-04-20
1H-Pyrazole-1-carboxylicacid,3,5-dimethyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-carboxylicacid,3,5-dimethyl-(9CI)
- 492998-68-2
- AKOS000541055
- 3,5-Dimethyl-1H-pyrazole-1-carboxylic acid
- SCHEMBL4457538
-
- Inchi： 1S/C6H8N2O2/c1-4-3-5(2)8(7-4)6(9)10/h3H,1-2H3,(H,9,10)
- InChI Key： WMXDHTDKVGBIBO-UHFFFAOYSA-N
- SMILES： OC(N1C(C)=CC(C)=N1)=O
Computed Properties
- Exact Mass: 140.058577502g/mol
- Monoisotopic Mass: 140.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 149
- 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
- Topological Polar Surface Area: 55.1?2
1H-Pyrazole-1-carboxylicacid,3,5-dimethyl-(9CI) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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