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3777-70-6 | 2-Hexylfuran
CAS No: 3777-70-6 Catalog No: AG0033C1 MDL No:MFCD00053134
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 |
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