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163936-30-9 | Ethyl 2,4,5-trimethoxybenzoate
CAS No: 163936-30-9 Catalog No: AG01FF37 MDL No:
Product Description
Catalog Number:
AG01FF37
Chemical Name:
Ethyl 2,4,5-trimethoxybenzoate
CAS Number:
163936-30-9
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
IUPAC Name:
ethyl 2,4,5-trimethoxybenzoate
InChI:
InChI=1S/C12H16O5/c1-5-17-12(13)8-6-10(15-3)11(16-4)7-9(8)14-2/h6-7H,5H2,1-4H3
InChI Key:
MJZVDUVEECRKEN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(OC)c(cc1OC)OC
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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