Cas no 104899-67-4 (Hexacosanoic acid, phenylmethyl ester)
104899-67-4 structure
Product Name:Hexacosanoic acid, phenylmethyl ester
CAS No:104899-67-4
MF:C33H58O2
MW:486.812430858612
CID:1146967
PubChem ID:13981852
Update Time:2025-04-20
Hexacosanoic acid, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexacosanoic acid, phenylmethyl ester
- benzyl hexacosanoate
- DTXSID10553774
- 104899-67-4
- benzyl n-hexacosanoate
-
- Inchi： 1S/C33H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30-33(34)35-31-32-28-25-24-26-29-32/h24-26,28-29H,2-23,27,30-31H2,1H3
- InChI Key： CNQDGFDWQZTKGG-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(CCCCCCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 486.44394
- Monoisotopic Mass: 486.44368109g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 35
- Rotatable Bond Count: 27
- Complexity: 427
- 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: 14.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 11.11210
Hexacosanoic acid, phenylmethyl ester Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
104899-67-4 (Hexacosanoic acid, phenylmethyl ester) Related Products
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- 3089-55-2(Benzyl octyl adipate)
- 2451-84-5(Dibenzyl adipate)
- 189625-51-2(Octadecanedioic acid,1-(phenylmethyl) ester)
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