Cas no 23495-13-8 (Pentanoic acid,2-phenoxyethyl ester)
23495-13-8 structure
Product Name:Pentanoic acid,2-phenoxyethyl ester
CAS No:23495-13-8
MF:C13H18O3
MW:222.280224323273
CID:270162
PubChem ID:90122
Update Time:2025-04-19
Pentanoic acid,2-phenoxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,2-phenoxyethyl ester
- 2-phenoxyethyl pentanoate
- 1-Phenoxy-2-valeryloxy-aethan
- 2-phenoxyethyl valerate
- AC1L3JB9
- AC1Q68A4
- AR-1E4777
- CTK4F1576
- NSC21876
- AKOS017010184
- SCHEMBL21834924
- UNII-7YW24WC8TG
- NSC-21876
- DTXSID0066901
- Pentanoic acid, 2-phenoxyethyl ester
- NSC 21876
- ETHANOL, 2-PHENOXY-, VALERATE
- 7YW24WC8TG
- VALERIC ACID, 2-PHENOXYETHYL ESTER
- 23495-13-8
- AI3-30583
- VTDVFBXXQCGSIB-UHFFFAOYSA-N
-
- Inchi： 1S/C13H18O3/c1-2-3-9-13(14)16-11-10-15-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
- InChI Key： VTDVFBXXQCGSIB-UHFFFAOYSA-N
- SMILES： O(CCOC1C=CC=CC=1)C(CCCC)=O
Computed Properties
- Exact Mass: 222.12564
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 186
- 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: 35.5?2
Experimental Properties
- PSA: 35.53
Pentanoic acid,2-phenoxyethyl ester Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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