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188758-61-4 | 2(3H)-Furanone, dihydro-5-(1-hydroxy-1-methylethyl)-5-methyl-
CAS No: 188758-61-4 Catalog No: AG002H9Y MDL No:
Product Description
Catalog Number:
AG002H9Y
Chemical Name:
2(3H)-Furanone, dihydro-5-(1-hydroxy-1-methylethyl)-5-methyl-
CAS Number:
188758-61-4
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
5-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
InChI:
InChI=1S/C8H14O3/c1-7(2,10)8(3)5-4-6(9)11-8/h10H,4-5H2,1-3H3
InChI Key:
KYPSUMDZYXBFHY-UHFFFAOYSA-N
SMILES:
CC(C1(C)CCC(=O)O1)(O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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