Cas no 93164-30-8 (Pentanedioic acid, 2-(2-methylphenoxy)-, diethyl ester)
93164-30-8 structure
Product Name:Pentanedioic acid, 2-(2-methylphenoxy)-, diethyl ester
CAS No:93164-30-8
MF:C16H22O5
MW:294.342885494232
CID:752828
PubChem ID:14774131
Update Time:2025-04-19
Pentanedioic acid, 2-(2-methylphenoxy)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2-(2-methylphenoxy)-, diethyl ester
- diethyl 2-(2-methylphenoxy)pentanedioate
- ethyl 4-carbethoxy-4-(2-methylphenoxy)butyrate
- 93164-30-8
- SCHEMBL6582139
- DTXSID20563884
- RJCLWJRANDFSKD-UHFFFAOYSA-N
-
- Inchi： 1S/C16H22O5/c1-4-19-15(17)11-10-14(16(18)20-5-2)21-13-9-7-6-8-12(13)3/h6-9,14H,4-5,10-11H2,1-3H3
- InChI Key： RJCLWJRANDFSKD-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1C)C(C(=O)OCC)CCC(=O)OCC
Computed Properties
- Exact Mass: 294.14672380g/mol
- Monoisotopic Mass: 294.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 10
- Complexity: 329
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 61.8?2
Pentanedioic acid, 2-(2-methylphenoxy)-, diethyl ester Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
93164-30-8 (Pentanedioic acid, 2-(2-methylphenoxy)-, diethyl ester) Related Products
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