Cas no 109026-24-6 (Benzoic acid, 4-formyl-, hexyl ester)
109026-24-6 structure
Product Name:Benzoic acid, 4-formyl-, hexyl ester
CAS No:109026-24-6
MF:C14H18O3
MW:234.290924549103
CID:1190580
PubChem ID:53830423
Update Time:2025-04-20
Benzoic acid, 4-formyl-, hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-formyl-, hexyl ester
- hexyl 4-formylbenzoate
- SCHEMBL3041650
- 109026-24-6
- DTXSID30706982
- LXBUXXAYRWEHQP-UHFFFAOYSA-N
-
- Inchi： 1S/C14H18O3/c1-2-3-4-5-10-17-14(16)13-8-6-12(11-15)7-9-13/h6-9,11H,2-5,10H2,1H3
- InChI Key： LXBUXXAYRWEHQP-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C=O)=CC=1)=O)CCCCCC
Computed Properties
- Exact Mass: 234.12564
- Monoisotopic Mass: 234.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 230
- 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: 4.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 4-formyl-, hexyl ester Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
109026-24-6 (Benzoic acid, 4-formyl-, hexyl ester) Related Products
- 136-60-7(Butyl benzoate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 131-18-0(1,2-dipentyl benzene-1,2-dicarboxylate)
- 1962-75-0(1,4-dibutyl benzene-1,4-dicarboxylate)
- 3126-90-7(Dibutyl isophthalate)
- 6422-86-2(Dioctyl Terepthalate)
- 94-46-2(Isopentyl benzoate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 94-50-8(Octyl benzoate)
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