tert-Butyl Phenylacetate - CAS 16537-09-0
Catalog: |
BB072791 |
Product Name: |
tert-Butyl Phenylacetate |
CAS: |
16537-09-0 |
Synonyms: |
tert-butyl 2-phenylacetate; tert-Butyl phenylacetate; tert-Butyl benzeneacetate; Phenyl-acetic acid tert-butyl ester; Benzeneacetic acid, 1,1-dimethylethyl ester; t-butyl phenylacetate; Acetic acid, phenyl-, tert-butyl ester; t-butyl phenyl acetate |
IUPAC Name: | tert-butyl 2-phenylacetate |
Molecular Weight: | 192.25 |
Molecular Formula: | C12H16O2 |
Canonical SMILES: | CC(C)(C)OC(=O)CC1=CC=CC=C1 |
InChI: | InChI=1S/C12H16O2/c1-12(2,3)14-11(13)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
InChI Key: | QROFQHQXTMKORN-UHFFFAOYSA-N |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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