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87068-69-7 | 2(5H)-Furanone, 3-hydroxy-4,5-dimethyl-, (5S)-
CAS No: 87068-69-7 Catalog No: AG004GIE MDL No:
Product Description
Catalog Number:
AG004GIE
Chemical Name:
2(5H)-Furanone, 3-hydroxy-4,5-dimethyl-, (5S)-
CAS Number:
87068-69-7
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
(2S)-4-hydroxy-2,3-dimethyl-2H-furan-5-one
InChI:
InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3/t4-/m0/s1
InChI Key:
UNYNVICDCJHOPO-BYPYZUCNSA-N
SMILES:
C[C@@H]1OC(=O)C(=C1C)O
UNII:
8Q771Q0X88
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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