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116208-89-0 | Benzoic acid, 2,4-dihydroxy-, 2-(4-methoxyphenoxy)ethyl ester
CAS No: 116208-89-0 Catalog No: AG000BY4 MDL No:
Product Description
Catalog Number:
AG000BY4
Chemical Name:
Benzoic acid, 2,4-dihydroxy-, 2-(4-methoxyphenoxy)ethyl ester
CAS Number:
116208-89-0
Molecular Formula:
C16H16O6
Molecular Weight:
304.2946
IUPAC Name:
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
InChI:
InChI=1S/C16H16O6/c1-20-12-3-5-13(6-4-12)21-8-9-22-16(19)14-7-2-11(17)10-15(14)18/h2-7,10,17-18H,8-9H2,1H3
InChI Key:
PRMVHLQGFGLIFJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCCOC(=O)c1ccc(cc1O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.298g/mol
Monoisotopic Mass:
304.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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