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114296-43-4 | Benzoic acid, tetramethoxy-, phenylmethyl ester (9CI)
CAS No: 114296-43-4 Catalog No: AG000B0O MDL No:
Product Description
Catalog Number:
AG000B0O
Chemical Name:
Benzoic acid, tetramethoxy-, phenylmethyl ester (9CI)
CAS Number:
114296-43-4
Molecular Formula:
C18H20O6
Molecular Weight:
332.3478
IUPAC Name:
benzyl 2,3,4,5-tetramethoxybenzoate
InChI:
InChI=1S/C18H20O6/c1-20-14-10-13(15(21-2)17(23-4)16(14)22-3)18(19)24-11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
InChI Key:
JXAZEMBBEWBJDA-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)OCc2ccccc2)c(c(c1OC)OC)OC
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.352g/mol
Monoisotopic Mass:
332.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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