Cas no 503834-19-3 ((4-Carboxy-3-ethoxy)phenyl Acetic Acid (Repaglinide Impurity))
503834-19-3 structure
Product Name:(4-Carboxy-3-ethoxy)phenyl Acetic Acid (Repaglinide Impurity)
CAS No:503834-19-3
MF:C12H14O5
MW:238.236564159393
CID:933676
PubChem ID:11230145
Update Time:2025-04-19
(4-Carboxy-3-ethoxy)phenyl Acetic Acid (Repaglinide Impurity) Chemical and Physical Properties
Names and Identifiers
-
- (4-Carboxy-3-ethoxy)phenyl Acetic Acid (Repaglinide Impurity)
- LogP
- DB-411014
- SCHEMBL6909316
- 3-Ethoxy-4-(methoxycarbonyl)benzeneacetic acid
- [3-Ethoxy-4-(methoxycarbonyl)phenyl]acetic acid
- 2-(3-ethoxy-4-(methoxycarbonyl)phenyl) acetic acid
- 503834-19-3
-
- Inchi： 1S/C12H14O5/c1-3-17-10-6-8(7-11(13)14)4-5-9(10)12(15)16-2/h4-6H,3,7H2,1-2H3,(H,13,14)
- InChI Key： YIOMPQMKTFLQFF-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C=CC=1C(=O)OC)CC(=O)O
Computed Properties
- Exact Mass: 238.08412
- Monoisotopic Mass: 238.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 276
- 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: 1.6
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
(4-Carboxy-3-ethoxy)phenyl Acetic Acid (Repaglinide Impurity) Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
503834-19-3 ((4-Carboxy-3-ethoxy)phenyl Acetic Acid (Repaglinide Impurity)) Related Products
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