Cas no 666727-47-5 (3-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-4-pentyl- (9CI))
666727-47-5 structure
Product Name:3-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-4-pentyl- (9CI)
CAS No:666727-47-5
MF:C11H15NO4
MW:225.241103410721
CID:1020683
PubChem ID:136217300
Update Time:2025-04-20
3-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-4-pentyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-4-pentyl- (9CI)
- 3-(dihydroxymethylidene)-4-pentylpyridine-2,6-dione
- 666727-47-5
- 3-pyridinecarboxylic acid,1,2-dihydro-6-hydroxy-2-oxo-4-pentyl-
-
- Inchi： 1S/C11H15NO4/c1-2-3-4-5-7-6-8(13)12-10(14)9(7)11(15)16/h6H,2-5H2,1H3,(H,15,16)(H2,12,13,14)
- InChI Key： XZEQCGGLWZNOKQ-UHFFFAOYSA-N
- SMILES： OC1=C(C(=O)O)C(=CC(N1)=O)CCCCC
Computed Properties
- Exact Mass: 225.10010796g/mol
- Monoisotopic Mass: 225.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 368
- 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: 1.8
- Topological Polar Surface Area: 86.6?2
3-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-4-pentyl- (9CI) Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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