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5-Methylfuran-2(5H)-one

CAS No.:
591-11-7
Catalog Number:
AG0034AQ
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
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Product Description
Catalog Number:
AG0034AQ
Chemical Name:
5-Methylfuran-2(5H)-one
CAS Number:
591-11-7
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
MDL Number:
MFCD01725808
IUPAC Name:
2-methyl-2H-furan-5-one
InChI:
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
InChI Key:
BGLUXFNVVSVEET-UHFFFAOYSA-N
SMILES:
CC1C=CC(=O)O1
EC Number:
209-700-2
FEMA Number:
4438
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.037g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.101g/mol
Monoisotopic Mass:
98.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Asymmetric assembly of 2-oxindole and α-angelica lactone units to construct vicinal quaternary chiral centers. Chemical communications (Cambridge, England) 20120227
Catalytic asymmetric vinylogous Mannich-type (AVM) reaction of nonactivated α-angelica lactone. Organic letters 20110617
Enhancement of glutathione and g-glutamylcysteine synthetase, the rate limiting enzyme of glutathione synthesis, by chemoprotective plant-derived food and beverage components in the human hepatoma cell line HepG2. Nutrition and cancer 20030101
Biosynthesis of acaterin: coupling of C(5) unit with octanoate. The Journal of organic chemistry 20010824
Properties