Cas no 90183-46-3 (1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 1-methyl ester)
90183-46-3 structure
Product Name:1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 1-methyl ester
CAS No:90183-46-3
MF:C12H11O5
MW:235.212743997574
CID:792197
PubChem ID:71429791
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 1-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 1-methyl ester
- 5-methoxycarbonyl-2-prop-2-enoxybenzoate
- 90183-46-3
- 5-(Methoxycarbonyl)-2-[(prop-2-en-1-yl)oxy]benzoate
- DTXSID50848459
-
- Inchi： 1S/C12H12O5/c1-3-6-17-10-5-4-8(12(15)16-2)7-9(10)11(13)14/h3-5,7H,1,6H2,2H3,(H,13,14)/p-1
- InChI Key： QSYMBHXUAJBSQB-UHFFFAOYSA-M
- SMILES： O(CC=C)C1C=CC(C(=O)OC)=CC=1C(=O)[O-]
Computed Properties
- Exact Mass: 235.06064845g/mol
- Monoisotopic Mass: 235.06064845g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 294
- 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: 2.6
- Topological Polar Surface Area: 75.7?2
1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 1-methyl ester Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
90183-46-3 (1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 1-methyl ester) Related Products
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