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791796-64-0 | Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester
CAS No: 791796-64-0 Catalog No: AG005LM6 MDL No:
Product Description
Catalog Number:
AG005LM6
Chemical Name:
Benzoic acid, 2,4,5-trimethoxy-, 4-methoxyphenyl ester
CAS Number:
791796-64-0
Molecular Formula:
C17H18O6
Molecular Weight:
318.3212
IUPAC Name:
(4-methoxyphenyl) 2,4,5-trimethoxybenzoate
InChI:
InChI=1S/C17H18O6/c1-19-11-5-7-12(8-6-11)23-17(18)13-9-15(21-3)16(22-4)10-14(13)20-2/h5-10H,1-4H3
InChI Key:
SDHYDUZSTXSAHR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC(=O)c1cc(OC)c(cc1OC)OC
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.325g/mol
Monoisotopic Mass:
318.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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