Home Other Building Blocks Acetic acid,2-(2-hydroxyethoxy)-

Acetic acid,2-(2-hydroxyethoxy)-

CAS No.:
13382-47-3
Catalog Number:
AG00809S
Molecular Formula:
C4H8O4
Molecular Weight:
120.1039
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Product Description
Catalog Number:
AG00809S
Chemical Name:
Acetic acid,2-(2-hydroxyethoxy)-
CAS Number:
13382-47-3
Molecular Formula:
C4H8O4
Molecular Weight:
120.1039
MDL Number:
MFCD11618154
IUPAC Name:
2-(2-hydroxyethoxy)acetic acid
InChI:
InChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)
InChI Key:
VDNMIIDPBBCMTM-UHFFFAOYSA-N
SMILES:
OCCOCC(=O)O
UNII:
6KG0T74LYT
Properties
Complexity:
70.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.042g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
120.104g/mol
Monoisotopic Mass:
120.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
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Management of diethylene glycol ingestion. Clinical toxicology (Philadelphia, Pa.) 20120701
Lactone metabolite common to the carcinogens dioxane, diethylene glycol, and N-nitrosomorpholine: aqueous chemistry and failure to mediate liver carcinogenesis in the F344 rat. Chemical research in toxicology 20120521
Diglycolic acid is the nephrotoxic metabolite in diethylene glycol poisoning inducing necrosis in human proximal tubule cells in vitro. Toxicological sciences : an official journal of the Society of Toxicology 20111101
Role of tissue metabolite accumulation in the renal toxicity of diethylene glycol. Toxicological sciences : an official journal of the Society of Toxicology 20111001
Synthesis and properties of acetamidinium salts. Chemistry Central journal 20110101
Delayed neurological sequelae from ethylene glycol, diethylene glycol and methanol poisonings. Clinical toxicology (Philadelphia, Pa.) 20101201
Diethylene glycol poisoning. Clinical toxicology (Philadelphia, Pa.) 20090701
Physiologically based pharmacokinetic modeling of 1,4-Dioxane in rats, mice, and humans. Toxicological sciences : an official journal of the Society of Toxicology 20080101
Identification of the intermediates of in vivo oxidation of 1 ,4-dioxane by monooxygenase-containing bacteria. Environmental science & technology 20071101
Poly(ethylene glycol) transport forms of vancomycin: a long-lived continuous release delivery system. Journal of medicinal chemistry 20031106
Properties