Cas no 47172-89-4 (Pentanedioicacid, 1,5-diphenyl ester)
47172-89-4 structure
Product Name:Pentanedioicacid, 1,5-diphenyl ester
CAS No:47172-89-4
MF:C17H16O4
MW:284.306545257568
CID:335238
PubChem ID:274527
Update Time:2025-04-19
Pentanedioicacid, 1,5-diphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioicacid, 1,5-diphenyl ester
- diphenyl pentanedioate
- AC1L6UM4
- AC1Q61M3
- AR-1I6030
- CTK4I9768
- diphenyl glutarate
- Diphenyl-glutarat
- glutaric acid diphenyl ester
- Glutarsaeure-diphenylester
- NSC120604
- Oprea1_749325
- pentanedioic acid,diphenyl ester
- SureCN44568
- SCHEMBL44568
- NSC-120604
- 47172-89-4
- DTXSID00298107
-
- Inchi： 1S/C17H16O4/c18-16(20-14-8-3-1-4-9-14)12-7-13-17(19)21-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
- InChI Key： MKEAERJPDKWNFA-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(CCCC(=O)OC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 284.10488
- Monoisotopic Mass: 284.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 296
- 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
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 3.36790
Pentanedioicacid, 1,5-diphenyl ester Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
47172-89-4 (Pentanedioicacid, 1,5-diphenyl ester) Related Products
- 20115-23-5(phenyl pentanoate)
- 10415-86-8(Pentanoic acid,4-methylphenyl ester)
- 10251-17-9(2-Naphthyl Caprylate)
- 4346-18-3(Phenyl butyrate)
- 15806-44-7(Octadecanoic acid,1-naphthalenyl ester)
- 10024-57-4(Dodecanoic acid,4-methylphenyl ester)
- 15806-43-6(1-Naphthalenyl Ester Hexadecanoic Acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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