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77120-83-3 | 2(5H)-Furanone, 5-(hydroxymethyl)-3-methyl-
CAS No: 77120-83-3 Catalog No: AG005EEN MDL No:
Product Description
Catalog Number:
AG005EEN
Chemical Name:
2(5H)-Furanone, 5-(hydroxymethyl)-3-methyl-
CAS Number:
77120-83-3
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
2-(hydroxymethyl)-4-methyl-2H-furan-5-one
InChI:
InChI=1S/C6H8O3/c1-4-2-5(3-7)9-6(4)8/h2,5,7H,3H2,1H3
InChI Key:
WUNBMJOKKPTSEN-UHFFFAOYSA-N
SMILES:
OCC1OC(=O)C(=C1)C
Properties
Complexity:
160
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:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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