Cas no 35400-19-2 (4-(acetyloxy)-3-methoxybenzoic acid methyl ester)
35400-19-2 structure
Product Name:4-(acetyloxy)-3-methoxybenzoic acid methyl ester
CAS No:35400-19-2
MF:C11H12O5
MW:224.209983825684
CID:2059688
PubChem ID:602779
Update Time:2025-04-21
4-(acetyloxy)-3-methoxybenzoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-(acetyloxy)-3-methoxybenzoic acid methyl ester
- 4-Acetoxy-3-methoxy-benzoesaeure-methylester
- 4-Acetoxy-3-methoxy-benzoesaeuremethylester
- 4-acetoxy-3-methoxy-benzoic acid methyl ester
- 4-acetyloxy-3-methoxybenzoic acid methyl ester
- Acetyl-vanillinsaeuremethylester
- Methyl-3-methoxy-4-acetoxybenzoat
- methyl 4-acetyloxy-3-methoxybenzoate
- Methyl 3-methoxy-4-acetoxybenzoate
- CHEBI:86557
- Q27159242
- Methyl 4-(acetyloxy)-3-methoxybenzoate #
- 4-acetoxy-3-methoxy methyl benzoate
- BHQRCCUOSHDJQC-UHFFFAOYSA-N
- AC1LCM92
- 4-Acetoxy-3-methoxybenzoic acid methyl ester
- methyl 4-acetyloxy-3-methoxy-benzoate
- Methyl 4-(acetyloxy)-3-methoxybenzoate
- 35400-19-2
- Benzoic acid, 4-(acetyloxy)-3-methoxy-, methyl ester
- bmse010107
- methyl 4-acetoxy-3-methoxybenzoate
- methyl 4-acetoxy-3-methoxy-benzoate
- DTXSID60345227
-
- Inchi： 1S/C11H12O5/c1-7(12)16-9-5-4-8(11(13)15-3)6-10(9)14-2/h4-6H,1-3H3
- InChI Key： BHQRCCUOSHDJQC-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=O)OC)C=CC=1OC(C)=O
Computed Properties
- Exact Mass: 224.068
- 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: 61.8?2
4-(acetyloxy)-3-methoxybenzoic acid methyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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