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116441-79-3 | 3-Furancarboxylic acid, 5-(3,4-dimethoxyphenyl)-2-methyl-, ethyl ester
CAS No: 116441-79-3 Catalog No: AG000CIS MDL No:
Product Description
Catalog Number:
AG000CIS
Chemical Name:
3-Furancarboxylic acid, 5-(3,4-dimethoxyphenyl)-2-methyl-, ethyl ester
CAS Number:
116441-79-3
Molecular Formula:
C16H18O5
Molecular Weight:
290.3111
IUPAC Name:
ethyl 5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carboxylate
InChI:
InChI=1S/C16H18O5/c1-5-20-16(17)12-9-14(21-10(12)2)11-6-7-13(18-3)15(8-11)19-4/h6-9H,5H2,1-4H3
InChI Key:
MYHXBPWTPJNFAJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(oc1C)c1ccc(c(c1)OC)OC
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.315g/mol
Monoisotopic Mass:
290.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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