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2-Hexylfuran

CAS No.:
3777-70-6
Catalog Number:
AG0033C1
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
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Product Description
Catalog Number:
AG0033C1
Chemical Name:
2-Hexylfuran
CAS Number:
3777-70-6
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD00053134
IUPAC Name:
2-hexylfuran
InChI:
InChI=1S/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
InChI Key:
XBLCAKKYMZVLPU-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccco1
EC Number:
223-235-2
Properties
Complexity:
90.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Amino acid catalysis of 2-alkylfuran formation from lipid oxidation-derived α,β-unsaturated aldehydes. Journal of agricultural and food chemistry 20111026
Properties