Cas no 765298-70-2 (Octanoic acid, 4-formyl-2-methoxyphenyl ester)
765298-70-2 structure
Product Name:Octanoic acid, 4-formyl-2-methoxyphenyl ester
CAS No:765298-70-2
MF:C16H22O4
MW:278.343485355377
CID:537626
PubChem ID:12103060
Update Time:2025-04-19
Octanoic acid, 4-formyl-2-methoxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 4-formyl-2-methoxyphenyl ester
- (4-formyl-2-methoxyphenyl) octanoate
- 765298-70-2
- DTXSID50477622
-
- Inchi： 1S/C16H22O4/c1-3-4-5-6-7-8-16(18)20-14-10-9-13(12-17)11-15(14)19-2/h9-12H,3-8H2,1-2H3
- InChI Key： ZNRIKRZNENPTNL-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C=O)=CC=1OC)C(CCCCCCC)=O
Computed Properties
- Exact Mass: 278.15186
- Monoisotopic Mass: 278.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 290
- 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: 4.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Octanoic acid, 4-formyl-2-methoxyphenyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
765298-70-2 (Octanoic acid, 4-formyl-2-methoxyphenyl ester) Related Products
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