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27727-37-3 | Benzeneacetic acid, 4-hydroxy-, phenylmethyl ester
CAS No: 27727-37-3 Catalog No: AG002ULW MDL No:
Product Description
Catalog Number:
AG002ULW
Chemical Name:
Benzeneacetic acid, 4-hydroxy-, phenylmethyl ester
CAS Number:
27727-37-3
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
benzyl 2-(4-hydroxyphenyl)acetate
InChI:
InChI=1S/C15H14O3/c16-14-8-6-12(7-9-14)10-15(17)18-11-13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChI Key:
IUGQFMIATSVYLK-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccc(cc1)O)OCc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Design and synthesis of activity probes for glycosidases. | Organic letters 20021017 |
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