Cas no 62755-99-1 (Benzoic acid, 2-(2-ethoxy-2-oxoethoxy)-3-methoxy-, ethyl ester)
62755-99-1 structure
Product Name:Benzoic acid, 2-(2-ethoxy-2-oxoethoxy)-3-methoxy-, ethyl ester
CAS No:62755-99-1
MF:C14H18O6
MW:282.289124965668
CID:432436
PubChem ID:53782726
Update Time:2025-04-19
Benzoic acid, 2-(2-ethoxy-2-oxoethoxy)-3-methoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(2-ethoxy-2-oxoethoxy)-3-methoxy-, ethyl ester
- ethyl 2-(2-ethoxy-2-oxoethoxy)-3-methoxybenzoate
- DTXSID90706640
- 62755-99-1
- SCHEMBL11698695
-
- Inchi： 1S/C14H18O6/c1-4-18-12(15)9-20-13-10(14(16)19-5-2)7-6-8-11(13)17-3/h6-8H,4-5,9H2,1-3H3
- InChI Key： DWKHUDUGPMUONU-UHFFFAOYSA-N
- SMILES： O(CC(=O)OCC)C1C(=CC=CC=1C(=O)OCC)OC
Computed Properties
- Exact Mass: 282.11034
- Monoisotopic Mass: 282.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 317
- 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: 2.4
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- PSA: 71.06
Benzoic acid, 2-(2-ethoxy-2-oxoethoxy)-3-methoxy-, ethyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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