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Home Other Building Blocks (S)-5-(Hydroxymethyl)furan-2(5H)-one

(S)-5-(Hydroxymethyl)furan-2(5H)-one

CAS No.:
78508-96-0
Catalog Number:
AG003CMR
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
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Product Description
Catalog Number:
AG003CMR
Chemical Name:
(S)-5-(Hydroxymethyl)furan-2(5H)-one
CAS Number:
78508-96-0
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
MDL Number:
MFCD00075370
IUPAC Name:
(2S)-2-(hydroxymethyl)-2H-furan-5-one
InChI:
InChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m0/s1
InChI Key:
AWNLUIGMHSSXHB-BYPYZUCNSA-N
SMILES:
OC[C@H]1OC(=O)C=C1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
Synthesis of casuarine-related derivatives via 1,3-dipolar cycloaddition between a cyclic nitrone and an unsaturated gamma-lactone. Carbohydrate research 20090126
Synthesis of pyrrolizidine alkaloids via 1,3-dipolar cycloaddition involving cyclic nitrones and unsaturated lactones. Carbohydrate research 20080908
Properties