Cas no 88208-98-4 (Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester)
88208-98-4 structure
Product Name:Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester
CAS No:88208-98-4
MF:C17H26O4
MW:294.385945796967
CID:641210
PubChem ID:69383446
Update Time:2025-04-19
Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester
- ethyl 7-(3,5-dimethoxyphenyl)heptanoate
- 88208-98-4
- SCHEMBL5276845
- DTXSID50740383
-
- Inchi: 1S/C17H26O4/c1-4-21-17(18)10-8-6-5-7-9-14-11-15(19-2)13-16(12-14)20-3/h11-13H,4-10H2,1-3H3
- InChI Key: JAGBSYCGTMFPFK-UHFFFAOYSA-N
- SMILES: O(CC)C(CCCCCCC1C=C(C=C(C=1)OC)OC)=O
Computed Properties
- Exact Mass: 294.18310931g/mol
- Monoisotopic Mass: 294.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 268
- 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: 4.3
- Topological Polar Surface Area: 44.8?2
Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
88208-98-4 (Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester) Related Products
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