Cas no 54719-39-0 ((e)-6-(5-methoxycarbonyl-2-oxopyridin-1-yl)-4-methylhex-4-enoic Acid)
54719-39-0 structure
Product Name:(e)-6-(5-methoxycarbonyl-2-oxopyridin-1-yl)-4-methylhex-4-enoic Acid
CAS No:54719-39-0
MF:C14H17NO5
MW:279.288484334946
CID:942691
PubChem ID:6394372
Update Time:2025-04-19
(e)-6-(5-methoxycarbonyl-2-oxopyridin-1-yl)-4-methylhex-4-enoic Acid Chemical and Physical Properties
Names and Identifiers
-
- (e)-6-(5-methoxycarbonyl-2-oxopyridin-1-yl)-4-methylhex-4-enoic Acid
- NSC-173104
- 54719-39-0
- NSC173104
- DTXSID50423083
-
- Inchi： 1S/C14H17NO5/c1-10(3-6-13(17)18)7-8-15-9-11(14(19)20-2)4-5-12(15)16/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,18)/b10-7+
- InChI Key： XXSTYZLYTHDZNG-JXMROGBWSA-N
- SMILES： O=C1C=CC(C(=O)OC)=CN1C/C=C(\C)/CCC(=O)O
Computed Properties
- Exact Mass: 279.11071
- Monoisotopic Mass: 279.11067264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 502
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 83.9?2
Experimental Properties
- PSA: 83.91
(e)-6-(5-methoxycarbonyl-2-oxopyridin-1-yl)-4-methylhex-4-enoic Acid Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
54719-39-0 ((e)-6-(5-methoxycarbonyl-2-oxopyridin-1-yl)-4-methylhex-4-enoic Acid) Related Products
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