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2610-96-0 | 2(3H)-Furanone, dihydro-3,5,5-trimethyl-
CAS No: 2610-96-0 Catalog No: AG002RO6 MDL No:MFCD22055952
Product Description
Catalog Number:
AG002RO6
Chemical Name:
2(3H)-Furanone, dihydro-3,5,5-trimethyl-
CAS Number:
2610-96-0
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD22055952
IUPAC Name:
3,5,5-trimethyloxolan-2-one
InChI:
InChI=1S/C7H12O2/c1-5-4-7(2,3)9-6(5)8/h5H,4H2,1-3H3
InChI Key:
MERKSIJKRHUJNG-UHFFFAOYSA-N
SMILES:
O=C1OC(CC1C)(C)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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