Cas no 791796-64-0 (Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester)
791796-64-0 structure
Product Name:Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester
CAS No:791796-64-0
MF:C17H18O6
MW:318.321225643158
CID:1795812
PubChem ID:837981
Update Time:2025-04-21
Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester
- (4-methoxyphenyl) 2,4,5-trimethoxybenzoate
- SCHEMBL9905975
- DTXSID60356934
- 4-METHOXYPHENYL 2,4,5-TRIMETHOXYBENZOATE
- AN-652/43024664
- 791796-64-0
-
- Inchi： 1S/C17H18O6/c1-19-11-5-7-12(8-6-11)23-17(18)13-9-15(21-3)16(22-4)10-14(13)20-2/h5-10H,1-4H3
- InChI Key： SDHYDUZSTXSAHR-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)OC)C(C1C=C(C(=CC=1OC)OC)OC)=O
Computed Properties
- Exact Mass: 318.11033829g/mol
- Monoisotopic Mass: 318.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 366
- 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: 3.2
- Topological Polar Surface Area: 63.2?2
Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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