2-Acetoxymethylphenol - CAS 6161-96-2
Catalog: |
BB075521 |
Product Name: |
2-Acetoxymethylphenol |
CAS: |
6161-96-2 |
Synonyms: |
2-hydroxybenzyl acetate; (2-hydroxyphenyl)methyl Acetate; 2-acetoxymethylphenol; Essigsauresalicylester |
IUPAC Name: | (2-hydroxyphenyl)methyl acetate |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CC(=O)OCC1=CC=CC=C1O |
InChI: | InChI=1S/C9H10O3/c1-7(10)12-6-8-4-2-3-5-9(8)11/h2-5,11H,6H2,1H3 |
InChI Key: | LDPXUTOXMVCPSC-UHFFFAOYSA-N |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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