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89447-02-9 | 3-Furancarboxylic acid, 4-(4-methoxyphenyl)-2,5-dimethyl-, methyl ester
CAS No: 89447-02-9 Catalog No: AG0043EE MDL No:
Product Description
Catalog Number:
AG0043EE
Chemical Name:
3-Furancarboxylic acid, 4-(4-methoxyphenyl)-2,5-dimethyl-, methyl ester
CAS Number:
89447-02-9
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
methyl 4-(4-methoxyphenyl)-2,5-dimethylfuran-3-carboxylate
InChI:
InChI=1S/C15H16O4/c1-9-13(11-5-7-12(17-3)8-6-11)14(10(2)19-9)15(16)18-4/h5-8H,1-4H3
InChI Key:
DMYPQKUGVJWRRJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(C)oc(c1C(=O)OC)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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