Cas no 604000-36-4 (6-(hydroxymethyl)-3-Pyridazinecarboxylic acid ethyl ester)
604000-36-4 structure
Product Name:6-(hydroxymethyl)-3-Pyridazinecarboxylic acid ethyl ester
CAS No:604000-36-4
MF:C8H10N2O3
MW:182.176601886749
CID:1114793
PubChem ID:18442007
Update Time:2025-04-20
6-(hydroxymethyl)-3-Pyridazinecarboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 6-(hydroxymethyl)-3-Pyridazinecarboxylic acid ethyl ester
- ethyl 6-(hydroxymethyl)pyridazine-3-carboxylate
- ethyl 6-(hydroxymethyl)-3-pyridazinecarboxylate
- RAAFTJJISHUISS-UHFFFAOYSA-N
- SCHEMBL1646668
- DTXSID501243884
- DA-33725
- 604000-36-4
-
- Inchi： 1S/C8H10N2O3/c1-2-13-8(12)7-4-3-6(5-11)9-10-7/h3-4,11H,2,5H2,1H3
- InChI Key： RAAFTJJISHUISS-UHFFFAOYSA-N
- SMILES： O(C(C1=CC=C(CO)N=N1)=O)CC
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: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 175
- 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: -0.5
- Topological Polar Surface Area: 72.3?2
6-(hydroxymethyl)-3-Pyridazinecarboxylic acid ethyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
604000-36-4 (6-(hydroxymethyl)-3-Pyridazinecarboxylic acid ethyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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