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2-(2-ethoxyethoxy)acetic acid

CAT: 0572-TRC-B440008-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B440008-25MGSize:25 mg
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CAS Number
7743-94-4
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3265; Packing Group: II
Purity
>95% (GC)
Smiles
CCOCCOCC(=O)O
Molecular Formula
C6H12O4
Molecular Weight
148.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-(2-Ethoxyethoxy)acetic acid

(2-ethoxyethoxy)acetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 2-ethoxyethoxy group. It has a role as a human urinary metabolite. It is a monocarboxylic acid and a diether.

CAS Number7743-94-4
PubChem CID192850
IUPAC Name2-(2-ethoxyethoxy)acetic acid
Molecular FormulaC6H12O4
Molecular Weight148.16
XLogP-0.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity91
SMILES
CCOCCOCC(=O)O
InChI
InChI=1S/C6H12O4/c1-2-9-3-4-10-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey
LVLQKFRSMSHJIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Ethoxyethoxy)acetic acid
CAS: 7743-94-4
CID: 192850
Formula: C6H12O4
MW: 148.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight148.16
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass148.07355886
Monoisotopic Mass148.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity91.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes