Cas no 59562-70-8 (Hexanedioic acid, 3-oxo-, 6-ethyl 1-(phenylmethyl) ester)
59562-70-8 structure
Product Name:Hexanedioic acid, 3-oxo-, 6-ethyl 1-(phenylmethyl) ester
CAS No:59562-70-8
MF:C15H18O5
MW:278.300425052643
CID:338265
PubChem ID:12072760
Update Time:2025-04-19
Hexanedioic acid, 3-oxo-, 6-ethyl 1-(phenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid, 3-oxo-, 6-ethyl 1-(phenylmethyl) ester
- 1-O-benzyl 6-O-ethyl 3-oxohexanedioate
- 59562-70-8
- DTXSID30477009
-
- Inchi： 1S/C15H18O5/c1-2-19-14(17)9-8-13(16)10-15(18)20-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
- InChI Key： FJWDQECFEYJVEA-UHFFFAOYSA-N
- SMILES： O(C(CC(CCC(=O)OCC)=O)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 278.11544
- Monoisotopic Mass: 278.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 331
- 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: 1.6
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Hexanedioic acid, 3-oxo-, 6-ethyl 1-(phenylmethyl) ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
59562-70-8 (Hexanedioic acid, 3-oxo-, 6-ethyl 1-(phenylmethyl) ester) Related Products
- 103-40-2(Succinic Acid Monobenzyl Ester)
- 140-24-9(Dibenzyl sebacate)
- 31161-71-4(Tetradecanoic acid,phenylmethyl ester)
- 103-43-5(dibenzyl succinate)
- 5396-89-4(Benzyl acetoacetate)
- 103-37-7(Benzyl butyrate)
- 3089-55-2(Benzyl octyl adipate)
- 2451-84-5(Dibenzyl adipate)
- 5531-65-7(Octadecanoic acid,phenylmethyl ester)
- 189625-51-2(Octadecanedioic acid,1-(phenylmethyl) ester)
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