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14588-60-4 | Benzoic acid, 3,5-dimethoxy-4-(phenylmethoxy)-
CAS No: 14588-60-4 Catalog No: AG001DHG MDL No:MFCD00183323
Product Description
Catalog Number:
AG001DHG
Chemical Name:
Benzoic acid, 3,5-dimethoxy-4-(phenylmethoxy)-
CAS Number:
14588-60-4
Molecular Formula:
C16H16O5
Molecular Weight:
288.2952
MDL Number:
MFCD00183323
IUPAC Name:
3,5-dimethoxy-4-phenylmethoxybenzoic acid
InChI:
InChI=1S/C16H16O5/c1-19-13-8-12(16(17)18)9-14(20-2)15(13)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)
InChI Key:
OVCCGNWMGBKDIZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OCc1ccccc1)OC)C(=O)O
Properties
Complexity:
313
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:
2.9
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