Cas no 838857-96-8 (Benzoic acid, 3-(benzoyloxy)-2-(2-methoxyethoxy)-, methyl ester)
838857-96-8 structure
Product Name:Benzoic acid, 3-(benzoyloxy)-2-(2-methoxyethoxy)-, methyl ester
CAS No:838857-96-8
MF:C18H18O6
MW:330.331925868988
CID:1814934
PubChem ID:66889877
Update Time:2025-04-21
Benzoic acid, 3-(benzoyloxy)-2-(2-methoxyethoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(benzoyloxy)-2-(2-methoxyethoxy)-, methyl ester
- methyl 2-{[2-(methyloxy)ethyl]oxy}-3-[(phenylcarbonyl)oxy]benzoate
- SCHEMBL1053746
- DB-351811
- MLCHXFJAFDUJDU-UHFFFAOYSA-N
- 838857-96-8
-
- Inchi： 1S/C18H18O6/c1-21-11-12-23-16-14(18(20)22-2)9-6-10-15(16)24-17(19)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
- InChI Key： MLCHXFJAFDUJDU-UHFFFAOYSA-N
- SMILES： O(CCOC)C1C(=CC=CC=1C(=O)OC)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 330.11033829g/mol
- Monoisotopic Mass: 330.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 404
- 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: 3
- Topological Polar Surface Area: 71.1?2
Benzoic acid, 3-(benzoyloxy)-2-(2-methoxyethoxy)-, methyl ester Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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