4-Nitrophenyl trimethylacetate - CAS 4195-17-9
Catalog: |
BB024996 |
Product Name: |
4-Nitrophenyl trimethylacetate |
CAS: |
4195-17-9 |
Synonyms: |
(4-nitrophenyl) 2,2-dimethylpropanoate |
IUPAC Name: | (4-nitrophenyl) 2,2-dimethylpropanoate |
Description: | 4-Nitrophenyl trimethylacetate (CAS# 4195-17-9 ) is a useful research chemical. |
Molecular Weight: | 223.23 |
Molecular Formula: | C11H13NO4 |
Canonical SMILES: | CC(C)(C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C11H13NO4/c1-11(2,3)10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3 |
InChI Key: | QADVJDGFQGNSIF-UHFFFAOYSA-N |
Boiling Point: | 323.7 ℃ at 760 mmHg |
Density: | 1.184 g/cm3 |
LogP: | 3.06950 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21088786 | 20110107 | Hydrolysis of carboxyesters promoted by vanadium(V) oxyanions | Dalton transactions (Cambridge, England : 2003) |
12585402 | 20030121 | Heat inhibited reactions | Chemical communications (Cambridge, England) |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.08445790 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.08445790 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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