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2-Furylacetone

CAS No.:
6975-60-6
Catalog Number:
AG003B8C
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
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Product Description
Catalog Number:
AG003B8C
Chemical Name:
2-Furylacetone
CAS Number:
6975-60-6
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
MDL Number:
MFCD02683084
IUPAC Name:
1-(furan-2-yl)propan-2-one
InChI:
InChI=1S/C7H8O2/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChI Key:
IQOJTGSBENZIOL-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccco1
EC Number:
230-234-0
UNII:
SI59VJ54CN
NSC Number:
21607
FEMA Number:
2496
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Metabolomic approach for determination of key volatile compounds related to beef flavor in glutathione-Maillard reaction products. Analytica chimica acta 20111010
Properties