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113707-66-7 | 2-Propanone, 1-(3-methyl-2-benzofuranyl)-
CAS No: 113707-66-7 Catalog No: AG0009E7 MDL No:
Product Description
Catalog Number:
AG0009E7
Chemical Name:
2-Propanone, 1-(3-methyl-2-benzofuranyl)-
CAS Number:
113707-66-7
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
1-(3-methyl-1-benzofuran-2-yl)propan-2-one
InChI:
InChI=1S/C12H12O2/c1-8(13)7-12-9(2)10-5-3-4-6-11(10)14-12/h3-6H,7H2,1-2H3
InChI Key:
VRGCVPTYCKKOJH-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1oc2c(c1C)cccc2
Properties
Complexity:
224
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:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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