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10413-86-2 | Ethyl 2,3,4-trimethoxybenzoate
CAS No: 10413-86-2 Catalog No: AG01FEZA MDL No:
Product Description
Catalog Number:
AG01FEZA
Chemical Name:
Ethyl 2,3,4-trimethoxybenzoate
CAS Number:
10413-86-2
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
IUPAC Name:
ethyl 2,3,4-trimethoxybenzoate
InChI:
InChI=1S/C12H16O5/c1-5-17-12(13)8-6-7-9(14-2)11(16-4)10(8)15-3/h6-7H,5H2,1-4H3
InChI Key:
QTUNGESOZAVCDR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1OC)OC)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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