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14385-63-8 | 2-Propen-1-one, 3-(2-furanyl)-1-(4-methylphenyl)-
CAS No: 14385-63-8 Catalog No: AG001IHR MDL No:
Product Description
Catalog Number:
AG001IHR
Chemical Name:
2-Propen-1-one, 3-(2-furanyl)-1-(4-methylphenyl)-
CAS Number:
14385-63-8
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
IUPAC Name:
3-(furan-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C14H12O2/c1-11-4-6-12(7-5-11)14(15)9-8-13-3-2-10-16-13/h2-10H,1H3
InChI Key:
OHUPSIYNIKCTNE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C=Cc1ccco1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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