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873000-26-1 | 2-Butanone, 4-(5-butyl-2-furanyl)-
CAS No: 873000-26-1 Catalog No: AG004LIF MDL No:
Product Description
Catalog Number:
AG004LIF
Chemical Name:
2-Butanone, 4-(5-butyl-2-furanyl)-
CAS Number:
873000-26-1
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
4-(5-butylfuran-2-yl)butan-2-one
InChI:
InChI=1S/C12H18O2/c1-3-4-5-11-8-9-12(14-11)7-6-10(2)13/h8-9H,3-7H2,1-2H3
InChI Key:
HCDDWPXQVMVLOW-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(o1)CCC(=O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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