Cas no 26395-09-5 (Propanedioic acid, (3-phenylpropyl)-, diethyl ester)
26395-09-5 structure
Product Name:Propanedioic acid, (3-phenylpropyl)-, diethyl ester
CAS No:26395-09-5
MF:C16H22O4
MW:278.343485355377
CID:1426898
PubChem ID:10636312
Update Time:2025-04-20
Propanedioic acid, (3-phenylpropyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (3-phenylpropyl)-, diethyl ester
- 1,3-Diethyl 2-(3-phenylpropyl)propanedioate
- 26395-09-5
- DTXSID201262439
- AKOS018015507
- diethyl (3-phenylpropyl)malonate
- diethyl 2-(3-phenylpropyl)malonate
- SCHEMBL6714506
- DB-390281
- Diethyl 3-phenylpropylmalonate
- IRRMRULGUABRDC-UHFFFAOYSA-N
-
- Inchi： 1S/C16H22O4/c1-3-19-15(17)14(16(18)20-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
- InChI Key： IRRMRULGUABRDC-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)CCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 278.15186
- Monoisotopic Mass: 278.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 277
- 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: 3.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, (3-phenylpropyl)-, diethyl ester Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
26395-09-5 (Propanedioic acid, (3-phenylpropyl)-, diethyl ester) Related Products
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