Cas no 50262-57-2 (Carbonic acid,4-formylphenyl pentyl ester)
50262-57-2 structure
Product Name:Carbonic acid,4-formylphenyl pentyl ester
CAS No:50262-57-2
MF:C13H16O4
MW:236.263744354248
CID:370195
PubChem ID:3084915
Update Time:2025-04-19
Carbonic acid,4-formylphenyl pentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid,4-formylphenyl pentyl ester
- (4-formylphenyl) pentyl carbonate
- 4-Formylphenyl pentyl carbonate
- Carbonic acid, 4-formylphenyl pentyl ester
- DTXSID9068534
- 50262-57-2
-
- Inchi： 1S/C13H16O4/c1-2-3-4-9-16-13(15)17-12-7-5-11(10-14)6-8-12/h5-8,10H,2-4,9H2,1H3
- InChI Key： KOACVIOKTRPNAA-UHFFFAOYSA-N
- SMILES： O(C(=O)OC1C=CC(C=O)=CC=1)CCCCC
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 232
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Carbonic acid,4-formylphenyl pentyl ester Related Literature
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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