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116214-24-5 | Benzoic acid, 4-hydroxy-, 2-oxo-2-(phenylmethoxy)ethyl ester
CAS No: 116214-24-5 Catalog No: AG000BXO MDL No:
Product Description
Catalog Number:
AG000BXO
Chemical Name:
Benzoic acid, 4-hydroxy-, 2-oxo-2-(phenylmethoxy)ethyl ester
CAS Number:
116214-24-5
Molecular Formula:
C16H14O5
Molecular Weight:
286.2794
IUPAC Name:
(2-oxo-2-phenylmethoxyethyl) 4-hydroxybenzoate
InChI:
InChI=1S/C16H14O5/c17-14-8-6-13(7-9-14)16(19)21-11-15(18)20-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChI Key:
ZNUVVBJFCGZLAO-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)COC(=O)c1ccc(cc1)O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.283g/mol
Monoisotopic Mass:
286.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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