Cas no 83171-42-0 (Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester)
83171-42-0 structure
Product Name:Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester
CAS No:83171-42-0
MF:C18H18O6
MW:330.331925868988
CID:1807328
PubChem ID:9549859
Update Time:2025-04-21
Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester
- (2-acetyl-3,5-dimethoxyphenyl) 4-methoxybenzoate
- MLS000438928
- 83171-42-0
- NCGC00090472-01
- SCHEMBL1976110
- HMS2220L04
- CMLD3_000268
- SMR000112955
- CHEMBL1410335
- DTXSID10429561
- NCGC00090472-02
- HMS3330G21
-
- Inchi: 1S/C18H18O6/c1-11(19)17-15(23-4)9-14(22-3)10-16(17)24-18(20)12-5-7-13(21-2)8-6-12/h5-10H,1-4H3
- InChI Key: BEEPCCLHKSMYTD-UHFFFAOYSA-N
- SMILES: O(C(C1C=CC(=CC=1)OC)=O)C1C=C(C=C(C=1C(C)=O)OC)OC
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: 7
- Complexity: 429
- 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: 2.9
- Topological Polar Surface Area: 71.1?2
Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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