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131222-81-6 | 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-, (2S)-
CAS No: 131222-81-6 Catalog No: AG000VRN MDL No:
Product Description
Catalog Number:
AG000VRN
Chemical Name:
3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-, (2S)-
CAS Number:
131222-81-6
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
4-hydroxy-2,5-dimethylfuran-3-one
InChI:
InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
InChI Key:
INAXVXBDKKUCGI-UHFFFAOYSA-N
SMILES:
C[C@@H]1OC(=C(C1=O)O)C
EC Number:
222-908-8
FEMA Number:
3174
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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