Cas no 6313-84-4 ((5-hydroxy-4-oxopyran-2-yl)methyl Nonanoate)
6313-84-4 structure
Product Name:(5-hydroxy-4-oxopyran-2-yl)methyl Nonanoate
CAS No:6313-84-4
MF:C15H22O5
MW:282.332185268402
CID:958800
PubChem ID:237006
Update Time:2025-04-19
(5-hydroxy-4-oxopyran-2-yl)methyl Nonanoate Chemical and Physical Properties
Names and Identifiers
-
- (5-hydroxy-4-oxopyran-2-yl)methyl Nonanoate
- (5-hydroxy-4-oxo-4h-pyran-2-yl)methyl nonanoate
- AC1L5XUZ
- AC1Q6BXP
- AR-1A6365
- CTK5B7750
- KST-1A7674
- NSC40198
- NSC-40198
- DTXSID50284999
- 6313-84-4
-
- Inchi： 1S/C15H22O5/c1-2-3-4-5-6-7-8-15(18)20-10-12-9-13(16)14(17)11-19-12/h9,11,17H,2-8,10H2,1H3
- InChI Key： KMGMZLZRLDUEGB-UHFFFAOYSA-N
- SMILES： O(CC1=CC(C(=CO1)O)=O)C(CCCCCCCC)=O
Computed Properties
- Exact Mass: 282.14676
- Monoisotopic Mass: 282.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 395
- 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: 3.2
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
(5-hydroxy-4-oxopyran-2-yl)methyl Nonanoate Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
6313-84-4 ((5-hydroxy-4-oxopyran-2-yl)methyl Nonanoate) Related Products
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