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261711-37-9 | 3-Pentanone, 1-(2-furanyl)-4-methyl-
CAS No: 261711-37-9 Catalog No: AG002RZV MDL No:
Product Description
Catalog Number:
AG002RZV
Chemical Name:
3-Pentanone, 1-(2-furanyl)-4-methyl-
CAS Number:
261711-37-9
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
1-(furan-2-yl)-4-methylpentan-3-one
InChI:
InChI=1S/C10H14O2/c1-8(2)10(11)6-5-9-4-3-7-12-9/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
GAABNFSJPGJRNI-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)CCc1ccco1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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