Cas no 53181-45-6 (Propanedioic acid, (4-methoxyphenyl)-)
53181-45-6 structure
Product Name:Propanedioic acid, (4-methoxyphenyl)-
CAS No:53181-45-6
MF:C10H10O5
MW:210.183403491974
CID:1584887
PubChem ID:13716680
Update Time:2025-04-21
Propanedioic acid, (4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (4-methoxyphenyl)-
- 2-(4-methoxyphenyl)propanedioic acid
- DTXSID90547474
- 4-methoxyphenyl malonic acid
- 53181-45-6
- (4-Methoxyphenyl)propanedioic acid
- HKGWZPGNUJEGCT-UHFFFAOYSA-N
- SCHEMBL1451206
-
- Inchi： 1S/C10H10O5/c1-15-7-4-2-6(3-5-7)8(9(11)12)10(13)14/h2-5,8H,1H3,(H,11,12)(H,13,14)
- InChI Key： HKGWZPGNUJEGCT-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1)C(C(=O)O)C(=O)O
Computed Properties
- Exact Mass: 210.0528
- Monoisotopic Mass: 210.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 228
- 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: 1.2
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
Propanedioic acid, (4-methoxyphenyl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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