Cas no 115124-31-7 (Benzoic acid, 3-(acetyloxy)-4-methoxy-, methyl ester)
115124-31-7 structure
Product Name:Benzoic acid, 3-(acetyloxy)-4-methoxy-, methyl ester
CAS No:115124-31-7
MF:C11H12O5
MW:224.209983825684
CID:1203975
PubChem ID:66890465
Update Time:2025-04-20
Benzoic acid, 3-(acetyloxy)-4-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-(acetyloxy)-4-methoxy-, methyl ester
- 3-acetoxy-4-methoxy-benzoic acid methyl ester
- methyl 3-(acetyloxy)-4-(methyloxy)benzoate
- .3-acetoxy-4-methoxybenzoic acid methyl ester
- .4-Methylaether-3-acetyl-protocatechusaeuremethylester
- .Acetylisovanillinsaeuremethylester
- .methyl 3-(acetyloxy)-4-(methyloxy)benzoate
- 3-Acetoxy-4-methoxy-benzoesaeure-methylester
- DB-370767
- 115124-31-7
- Benzoic acid, 3-acetoxy-4-methoxy-, methyl ester
- SCHEMBL1055428
-
- Inchi： 1S/C11H12O5/c1-7(12)16-10-6-8(11(13)15-3)4-5-9(10)14-2/h4-6H,1-3H3
- InChI Key： OCDPTCACMBMJMX-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=C(C(=O)OC)C=CC=1OC
Computed Properties
- Exact Mass: 224.06800
- Monoisotopic Mass: 224.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 263
- 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: 1.7
- Topological Polar Surface Area: 61.8A^2
Experimental Properties
- PSA: 61.83000
- LogP: 1.40710
Benzoic acid, 3-(acetyloxy)-4-methoxy-, methyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
115124-31-7 (Benzoic acid, 3-(acetyloxy)-4-methoxy-, methyl ester) Related Products
- 2150-38-1(Methyl 3,4-dimethoxybenzoate)
- 744-45-6(Diphenyl isophthalate)
- 1916-07-0(Methyl 3,4,5-trimethoxybenzoate)
- 5409-31-4(3,4-Diethoxybenzoic acid)
- 93-99-2(Phenyl benzoate)
- 72207-94-4(Ethylvanillin acetate)
- 6702-50-7(Methyl isovanillate)
- 617-05-0(Ethyl vanillate)
- 881-68-5(Vanillin acetate)
- 3943-74-6(Methyl vanillate)
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