Cas no 24903-83-1 (3-Pyridinecarboxylicacid, 1,6-dihydro-1-(1-methylethyl)-6-oxo-, ethyl ester)
24903-83-1 structure
Product Name:3-Pyridinecarboxylicacid, 1,6-dihydro-1-(1-methylethyl)-6-oxo-, ethyl ester
CAS No:24903-83-1
MF:C11H15NO3
MW:209.241703271866
CID:291172
PubChem ID:295869
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 1,6-dihydro-1-(1-methylethyl)-6-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 1,6-dihydro-1-(1-methylethyl)-6-oxo-, ethyl ester
- ethyl 6-oxo-1-propan-2-ylpyridine-3-carboxylate
- 1-i-Propyl-5-carbethoxy-2-pyridon
- 1-isopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester
- AC1L6P3Y
- NSC165486
- 24903-83-1
- SCHEMBL22861795
- NSC-165486
- DTXSID50304348
-
- Inchi： 1S/C11H15NO3/c1-4-15-11(14)9-5-6-10(13)12(7-9)8(2)3/h5-8H,4H2,1-3H3
- InChI Key： XUJMDJRAGCHAEN-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(N(C=1)C(C)C)=O)=O
Computed Properties
- Exact Mass: 209.10525
- Monoisotopic Mass: 209.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 329
- 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: 1.1
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- PSA: 46.61
- LogP: 1.60590
3-Pyridinecarboxylicacid, 1,6-dihydro-1-(1-methylethyl)-6-oxo-, ethyl ester Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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