Cas no 63001-33-2 (Isopropyl 3-pyridazinone-6-carboxylate)
63001-33-2 structure
Product Name:Isopropyl 3-pyridazinone-6-carboxylate
CAS No:63001-33-2
MF:C8H10N2O3
MW:182.176601886749
CID:57958
PubChem ID:12237242
Update Time:2025-04-18
Isopropyl 3-pyridazinone-6-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Isopropyl 3-pyridazinone-6-carboxylate
- AKOS017516012
- FT-0750756
- propan-2-yl 6-oxo-1,6-dihydropyridazine-3-carboxylate
- isopropyl 6-oxo-1,6-dihydropyridazine-3-carboxylate
- propan-2-yl 6-oxo-1H-pyridazine-3-carboxylate
- 63001-33-2
-
- Inchi： 1S/C8H10N2O3/c1-5(2)13-8(12)6-3-4-7(11)10-9-6/h3-5H,1-2H3,(H,10,11)
- InChI Key： QDSHPKYKQFIHOK-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(NN=1)=O)=O)C(C)C
Computed Properties
- Exact Mass: 182.06914219g/mol
- Monoisotopic Mass: 182.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 292
- 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: 0.4
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- Density: 1.28
Isopropyl 3-pyridazinone-6-carboxylate Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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