Cas no 88951-98-8 (Benzoic acid, 3-methoxy-, 2-acetyl-4-methylphenyl ester)
88951-98-8 structure
Product Name:Benzoic acid, 3-methoxy-, 2-acetyl-4-methylphenyl ester
CAS No:88951-98-8
MF:C17H16O4
MW:284.306545257568
CID:618643
PubChem ID:10934962
Update Time:2025-04-19
Benzoic acid, 3-methoxy-, 2-acetyl-4-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-methoxy-, 2-acetyl-4-methylphenyl ester
- (2-acetyl-4-methylphenyl) 3-methoxybenzoate
- DTXSID80448961
- 88951-98-8
-
- Inchi： 1S/C17H16O4/c1-11-7-8-16(15(9-11)12(2)18)21-17(19)13-5-4-6-14(10-13)20-3/h4-10H,1-3H3
- InChI Key： VTDPNHQRKQFCTB-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1)OC)=O)C1C=CC(C)=CC=1C(C)=O
Computed Properties
- Exact Mass: 284.10485899g/mol
- Monoisotopic Mass: 284.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 379
- 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: 3.4
- Topological Polar Surface Area: 52.6?2
Benzoic acid, 3-methoxy-, 2-acetyl-4-methylphenyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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