Cas no 78823-59-3 (1(2H)-Pyridinepropanoic acid, 4-heptyl-2-oxo-)
78823-59-3 structure
Product Name:1(2H)-Pyridinepropanoic acid, 4-heptyl-2-oxo-
CAS No:78823-59-3
MF:C15H23NO3
MW:265.348024606705
CID:533824
PubChem ID:71402982
Update Time:2025-04-19
1(2H)-Pyridinepropanoic acid, 4-heptyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
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- 1(2H)-Pyridinepropanoic acid, 4-heptyl-2-oxo-
- 3-(4-heptyl-2-oxopyridin-1-yl)propanoic acid
- 3-(4-Heptyl-2-oxopyridin-1(2H)-yl)propanoic acid
- 78823-59-3
- DTXSID90823922
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- Inchi： 1S/C15H23NO3/c1-2-3-4-5-6-7-13-8-10-16(14(17)12-13)11-9-15(18)19/h8,10,12H,2-7,9,11H2,1H3,(H,18,19)
- InChI Key： QZMVSLWRUVGILE-UHFFFAOYSA-N
- SMILES： O=C1C=C(C=CN1CCC(=O)O)CCCCCCC
Computed Properties
- Exact Mass: 265.16779360g/mol
- Monoisotopic Mass: 265.16779360g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 372
- 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: 2.9
- Topological Polar Surface Area: 57.6?2
1(2H)-Pyridinepropanoic acid, 4-heptyl-2-oxo- Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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