Cas no 111822-80-1 (1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)-)
111822-80-1 structure
Product Name:1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)-
CAS No:111822-80-1
MF:C10H10O6
MW:226.182803630829
CID:1199521
PubChem ID:14002156
Update Time:2025-04-20
1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)-
- 2-(2-Hydroxyethoxy)terephthalic acid
- LogP
- 2-(2-Hydroxyethoxy)benzene-1,4-dicarboxylic acid
- 111822-80-1
- DTXSID40554032
- SCHEMBL734285
-
- Inchi： 1S/C10H10O6/c11-3-4-16-8-5-6(9(12)13)1-2-7(8)10(14)15/h1-2,5,11H,3-4H2,(H,12,13)(H,14,15)
- InChI Key： DUTCVPBBKYHUPD-UHFFFAOYSA-N
- SMILES： O(CCO)C1C=C(C(=O)O)C=CC=1C(=O)O
Computed Properties
- Exact Mass: 226.0477
- Monoisotopic Mass: 226.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 264
- 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: 0.1
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.483
- Boiling Point: 493.9°C at 760 mmHg
- Flash Point: 200.2°C
- Refractive Index: 1.611
- PSA: 104.06
- LogP: 0.45410
1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
111822-80-1 (1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)-) Related Products
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- 529-75-9(2-Methoxybenzoic acid)
- 579-75-9(2-Methoxybenzoic acid)
- 2224-00-2(2-Ethoxy-1-naphthoic acid)
- 161192-21-8(2-(Benzyloxy)-5-hydroxybenzaldehyde)
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