Cas no 63001-34-3 (3-PYRIDAZINECARBOXYLIC ACID, 1,6-DIHYDRO-6-OXO-, BUTYL ESTER)
63001-34-3 structure
Product Name:3-PYRIDAZINECARBOXYLIC ACID, 1,6-DIHYDRO-6-OXO-, BUTYL ESTER
CAS No:63001-34-3
MF:C9H12N2O3
MW:196.203182220459
CID:3297971
PubChem ID:12346430
Update Time:2025-04-21
3-PYRIDAZINECARBOXYLIC ACID, 1,6-DIHYDRO-6-OXO-, BUTYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 3-PYRIDAZINECARBOXYLIC ACID, 1,6-DIHYDRO-6-OXO-, BUTYL ESTER
- Butyl 1,6-dihydro-6-oxo-3-pyridazinecarboxylate
- n-butyl 6-oxo-1,6-dihydropyridazine-3-carboxylate
- QSMVTNZZUSDDNG-UHFFFAOYSA-N
- SCHEMBL7666790
- 63001-34-3
- DTXSID501241426
- butyl 6-oxo-1,6-dihydropyridazine-3-carboxylate
- 3-(delta-butoxycarbonyl) pyridazin-6-one
-
- Inchi： 1S/C9H12N2O3/c1-2-3-6-14-9(13)7-4-5-8(12)11-10-7/h4-5H,2-3,6H2,1H3,(H,11,12)
- InChI Key： QSMVTNZZUSDDNG-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(NN=1)=O)=O)CCCC
Computed Properties
- Exact Mass: 196.08479225Da
- Monoisotopic Mass: 196.08479225Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 294
- 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: 0.8
- Topological Polar Surface Area: 67.8?2
3-PYRIDAZINECARBOXYLIC ACID, 1,6-DIHYDRO-6-OXO-, BUTYL ESTER 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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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