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116089-79-3 | Benzoic acid, 4-hydroxy-, 2-(4-methoxyphenoxy)ethyl ester
CAS No: 116089-79-3 Catalog No: AG000BLA MDL No:
Product Description
Catalog Number:
AG000BLA
Chemical Name:
Benzoic acid, 4-hydroxy-, 2-(4-methoxyphenoxy)ethyl ester
CAS Number:
116089-79-3
Molecular Formula:
C16H16O5
Molecular Weight:
288.2952
IUPAC Name:
2-(4-methoxyphenoxy)ethyl 4-hydroxybenzoate
InChI:
InChI=1S/C16H16O5/c1-19-14-6-8-15(9-7-14)20-10-11-21-16(18)12-2-4-13(17)5-3-12/h2-9,17H,10-11H2,1H3
InChI Key:
MHMBBYOSDUQKIS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCCOC(=O)c1ccc(cc1)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.299g/mol
Monoisotopic Mass:
288.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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