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13679-56-6 | 2-Butanone, 4-(5-methyl-2-furanyl)-
CAS No: 13679-56-6 Catalog No: AG0012DQ MDL No:
Product Description
Catalog Number:
AG0012DQ
Chemical Name:
2-Butanone, 4-(5-methyl-2-furanyl)-
CAS Number:
13679-56-6
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
4-(5-methylfuran-2-yl)butan-2-one
InChI:
InChI=1S/C9H12O2/c1-7(10)3-5-9-6-4-8(2)11-9/h4,6H,3,5H2,1-2H3
InChI Key:
CWKYCXPGVIFXOH-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccc(o1)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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