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2610-98-2 | 2(3H)-Furanone, 5-ethyldihydro-3-methyl-
CAS No: 2610-98-2 Catalog No: AG002RO5 MDL No:
Product Description
Catalog Number:
AG002RO5
Chemical Name:
2(3H)-Furanone, 5-ethyldihydro-3-methyl-
CAS Number:
2610-98-2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
5-ethyl-3-methyloxolan-2-one
InChI:
InChI=1S/C7H12O2/c1-3-6-4-5(2)7(8)9-6/h5-6H,3-4H2,1-2H3
InChI Key:
YTALMPUNNICJOM-UHFFFAOYSA-N
SMILES:
CCC1OC(=O)C(C1)C
Properties
Complexity:
120
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:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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