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124709-59-7 | Benzoic acid, 2,4-dihydroxy-, 1-methyl-2-phenoxyethyl ester
CAS No: 124709-59-7 Catalog No: AG000MNK MDL No:
Product Description
Catalog Number:
AG000MNK
Chemical Name:
Benzoic acid, 2,4-dihydroxy-, 1-methyl-2-phenoxyethyl ester
CAS Number:
124709-59-7
Molecular Formula:
C16H16O5
Molecular Weight:
288.2952
IUPAC Name:
1-phenoxypropan-2-yl 2,4-dihydroxybenzoate
InChI:
InChI=1S/C16H16O5/c1-11(10-20-13-5-3-2-4-6-13)21-16(19)14-8-7-12(17)9-15(14)18/h2-9,11,17-18H,10H2,1H3
InChI Key:
JGIMWPFTMULLRJ-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccc(cc1O)O)COc1ccccc1
Properties
Complexity:
327
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:
2
Isotope Atom Count:
0
Molecular Weight:
288.299g/mol
Monoisotopic Mass:
288.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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