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2-(2-Methoxyethoxy)acetic Acid (90%)

CAT: 0572-TRC-M262785-100GSize: 100 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M262785-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16024-56-9
Synonyms
(2-Methoxyethoxy)acetic Acid; (2-Methoxyethoxy)acetic Acid; 3,6-Dioxaheptanoic Acid; NSC 127858
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3265; Packing Group: II
Smiles
COCCOCC(=O)O
Molecular Formula
C5H10O4
Molecular Weight
134.13
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(2-Methoxyethoxy)acetic acid

a urinary biomarker; metabolite of 2-(2-methoxyethoxy)ethanol

CAS Number16024-56-9
PubChem CID27642
IUPAC Name2-(2-methoxyethoxy)acetic acid
Molecular FormulaC5H10O4
Molecular Weight134.13
XLogP-0.5
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity81
SMILES
COCCOCC(=O)O
InChI
InChI=1S/C5H10O4/c1-8-2-3-9-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey
CLLLODNOQBVIMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Methoxyethoxy)acetic acid
CAS: 16024-56-9
CID: 27642
Formula: C5H10O4
MW: 134.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.13
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass134.05790880
Monoisotopic Mass134.05790880
Topological Polar Surface Area55.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity81
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

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