Cas no 874491-39-1 (1-(Carboxymethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid)
874491-39-1 structure
Product Name:1-(Carboxymethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CAS No:874491-39-1
MF:C7H6N2O5
MW:198.13294172287
CID:1090339
PubChem ID:73554304
Update Time:2025-04-20
1-(Carboxymethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-(Carboxymethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
- 1-(carboxymethyl)-6-oxopyridazine-3-carboxylic acid
- 874491-39-1
- 1-(carboxymethyl)-6-oxo-pyridazine-3-carboxylic acid
- SB74360
-
- Inchi： 1S/C7H6N2O5/c10-5-2-1-4(7(13)14)8-9(5)3-6(11)12/h1-2H,3H2,(H,11,12)(H,13,14)
- InChI Key： XDMSUSRBPGHXMK-UHFFFAOYSA-N
- SMILES： O=C1C=CC(C(=O)O)=NN1CC(=O)O
Computed Properties
- Exact Mass: 198.02767130g/mol
- Monoisotopic Mass: 198.02767130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 357
- 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: 107?2
1-(Carboxymethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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