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865376-68-7 | 3-Furancarboxylic acid, 4-(2-methoxyphenyl)-2,5-dimethyl-, ethyl ester
CAS No: 865376-68-7 Catalog No: AG004V4E MDL No:
Product Description
Catalog Number:
AG004V4E
Chemical Name:
3-Furancarboxylic acid, 4-(2-methoxyphenyl)-2,5-dimethyl-, ethyl ester
CAS Number:
865376-68-7
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
ethyl 4-(2-methoxyphenyl)-2,5-dimethylfuran-3-carboxylate
InChI:
InChI=1S/C16H18O4/c1-5-19-16(17)15-11(3)20-10(2)14(15)12-8-6-7-9-13(12)18-4/h6-9H,5H2,1-4H3
InChI Key:
NKXXMTOKUARGPN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)oc(c1c1ccccc1OC)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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