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148965-89-3 | Benzoic acid, 2-hydroxy-4-[(4-methoxyphenyl)methoxy]-, methyl ester
CAS No: 148965-89-3 Catalog No: AG001LAG MDL No:
Product Description
Catalog Number:
AG001LAG
Chemical Name:
Benzoic acid, 2-hydroxy-4-[(4-methoxyphenyl)methoxy]-, methyl ester
CAS Number:
148965-89-3
Molecular Formula:
C16H16O5
Molecular Weight:
288.2952
IUPAC Name:
methyl 2-hydroxy-4-[(4-methoxyphenyl)methoxy]benzoate
InChI:
InChI=1S/C16H16O5/c1-19-12-5-3-11(4-6-12)10-21-13-7-8-14(15(17)9-13)16(18)20-2/h3-9,17H,10H2,1-2H3
InChI Key:
IANXOBHKQWFRAH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COc1ccc(c(c1)O)C(=O)OC
Properties
Complexity:
325
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:
3.6
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