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85614-50-2 | 1-Butanone,1-(2-benzofuranyl)-
CAS No: 85614-50-2 Catalog No: AG004U4O MDL No:MFCD17292360
Product Description
Catalog Number:
AG004U4O
Chemical Name:
1-Butanone,1-(2-benzofuranyl)-
CAS Number:
85614-50-2
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD17292360
IUPAC Name:
1-(1-benzofuran-2-yl)butan-1-one
InChI:
InChI=1S/C12H12O2/c1-2-5-10(13)12-8-9-6-3-4-7-11(9)14-12/h3-4,6-8H,2,5H2,1H3
InChI Key:
WHWXGPFAKAGINR-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc2c(o1)cccc2
EC Number:
287-937-0
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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