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1456-16-2 | Furan, 2-methyl-5-propyl-
CAS No: 1456-16-2 Catalog No: AG001D80 MDL No:
Product Description
Catalog Number:
AG001D80
Chemical Name:
Furan, 2-methyl-5-propyl-
CAS Number:
1456-16-2
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
2-methyl-5-propylfuran
InChI:
InChI=1S/C8H12O/c1-3-4-8-6-5-7(2)9-8/h5-6H,3-4H2,1-2H3
InChI Key:
XPYQVFYTBQVKIS-UHFFFAOYSA-N
SMILES:
CCCc1ccc(o1)C
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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