Cas no 93902-88-6 ( )
structure
Product Name:
CAS No:93902-88-6
MF:C18H20O2
MW:268.350205421448
CID:1000373
PubChem ID:263119
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2,3-diphenylbutanoate
- NSC97457
- 93902-88-6
- NSC-97457
- DTXSID40294623
-
-
- Inchi： 1S/C18H20O2/c1-3-20-18(19)17(16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-14,17H,3H2,1-2H3
- InChI Key： MPHDMYFGULPVHB-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C1C=CC=CC=1)C(C)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 268.14600
- Monoisotopic Mass: 268.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 4.13700
Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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