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78508-96-0 | (S)-5-(Hydroxymethyl)furan-2(5H)-one
CAS No: 78508-96-0 Catalog No: AG003CMR MDL No:MFCD00075370
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 |
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