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146952-30-9 | Benzenemethanol, 2-(acetyloxy)-
CAS No: 146952-30-9 Catalog No: AG001EGF MDL No:
Product Description
Catalog Number:
AG001EGF
Chemical Name:
Benzenemethanol, 2-(acetyloxy)-
CAS Number:
146952-30-9
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
[2-(hydroxymethyl)phenyl] acetate
InChI:
InChI=1S/C9H10O3/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5,10H,6H2,1H3
InChI Key:
YFPXKFCSFLHFNR-UHFFFAOYSA-N
SMILES:
OCc1ccccc1OC(=O)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| New structure-activity relationships of A- and D-ring modified steroidal aromatase inhibitors: design, synthesis, and biochemical evaluation. | Journal of medicinal chemistry 20120426 |
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