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114006-76-7 | Benzoic acid, 2-hydroxy-4-methoxy-3-(phenylmethoxy)-, methyl ester
CAS No: 114006-76-7 Catalog No: AG000A9M MDL No:
Product Description
Catalog Number:
AG000A9M
Chemical Name:
Benzoic acid, 2-hydroxy-4-methoxy-3-(phenylmethoxy)-, methyl ester
CAS Number:
114006-76-7
Molecular Formula:
C16H16O5
Molecular Weight:
288.2952
IUPAC Name:
methyl 2-hydroxy-4-methoxy-3-phenylmethoxybenzoate
InChI:
InChI=1S/C16H16O5/c1-19-13-9-8-12(16(18)20-2)14(17)15(13)21-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
InChI Key:
OSBBGTCWMJANFJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1O)OCc1ccccc1)OC
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:
1
Isotope Atom Count:
0
Molecular Weight:
288.299g/mol
Monoisotopic Mass:
288.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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