Cas no 88302-08-3 (3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl-)
88302-08-3 structure
Product Name:3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl-
CAS No:88302-08-3
MF:C13H17NO4
MW:251.278383970261
CID:638237
PubChem ID:13236512
Update Time:2025-04-19
3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl-
- 5-butanoyl-2-oxo-6-propyl-1H-pyridine-3-carboxylic acid
- DTXSID10530883
- SCHEMBL10994005
- 5-Butanoyl-2-oxo-6-propyl-1,2-dihydropyridine-3-carboxylic acid
- 88302-08-3
-
- Inchi： 1S/C13H17NO4/c1-3-5-10-8(11(15)6-4-2)7-9(13(17)18)12(16)14-10/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18)
- InChI Key： WTXSQSLPOGLCNQ-UHFFFAOYSA-N
- SMILES： O=C(CCC)C1C=C(C(=O)O)C(NC=1CCC)=O
Computed Properties
- Exact Mass: 251.11575802g/mol
- Monoisotopic Mass: 251.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 446
- 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: 1.9
- Topological Polar Surface Area: 83.5?2
3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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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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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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