2-[2-(tert-Butoxy)-2-oxoethoxy]acetic Acid - CAS 120289-22-7
Catalog: |
BB073126 |
Product Name: |
2-[2-(tert-Butoxy)-2-oxoethoxy]acetic Acid |
CAS: |
120289-22-7 |
Synonyms: |
2-[2-(tert-butoxy)-2-oxoethoxy]acetic acid; Acetic acid, (carboxymethoxy)-, 1-(1,1-dimethylethyl) ester; 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid; 2-(2-(TERT-BUTOXY)-2-OXOETHOXY)ACETIC ACID |
IUPAC Name: | 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid |
Molecular Weight: | 190.19 |
Molecular Formula: | C8H14O5 |
Canonical SMILES: | CC(C)(C)OC(=O)COCC(=O)O |
InChI: | InChI=1S/C8H14O5/c1-8(2,3)13-7(11)5-12-4-6(9)10/h4-5H2,1-3H3,(H,9,10) |
InChI Key: | KFROMFPUCBQIKX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.08412354 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 72.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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