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7402-30-4 | diethyl(3,4,5-trimethoxybenzyl)propanedioate
CAS No: 7402-30-4 Catalog No: AG005I7Y MDL No:
Product Description
Catalog Number:
AG005I7Y
Chemical Name:
diethyl(3,4,5-trimethoxybenzyl)propanedioate
CAS Number:
7402-30-4
Molecular Formula:
C17H24O7
Molecular Weight:
340.3683
IUPAC Name:
diethyl 2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate
InChI:
InChI=1S/C17H24O7/c1-6-23-16(18)12(17(19)24-7-2)8-11-9-13(20-3)15(22-5)14(10-11)21-4/h9-10,12H,6-8H2,1-5H3
InChI Key:
PYBGZUGFGVDXBA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1cc(OC)c(c(c1)OC)OC
NSC Number:
55134
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.372g/mol
Monoisotopic Mass:
340.152g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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