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81474-54-6 | Ethanone, 1-(2-furanyl)-2-(4-methoxyphenyl)-
CAS No: 81474-54-6 Catalog No: AG005KJF MDL No:
Product Description
Catalog Number:
AG005KJF
Chemical Name:
Ethanone, 1-(2-furanyl)-2-(4-methoxyphenyl)-
CAS Number:
81474-54-6
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
1-(furan-2-yl)-2-(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C13H12O3/c1-15-11-6-4-10(5-7-11)9-12(14)13-3-2-8-16-13/h2-8H,9H2,1H3
InChI Key:
KAPQFLKYRYKTBQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(=O)c1ccco1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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