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14123-26-3 | 2-Propen-1-one, 1-(2-furanyl)-
CAS No: 14123-26-3 Catalog No: AG001G3S MDL No:
Product Description
Catalog Number:
AG001G3S
Chemical Name:
2-Propen-1-one, 1-(2-furanyl)-
CAS Number:
14123-26-3
Molecular Formula:
C7H6O2
Molecular Weight:
122.1213
IUPAC Name:
1-(furan-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C7H6O2/c1-2-6(8)7-4-3-5-9-7/h2-5H,1H2
InChI Key:
DBTNNHQROYDOOG-UHFFFAOYSA-N
SMILES:
C=CC(=O)c1ccco1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.123g/mol
Monoisotopic Mass:
122.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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