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113599-55-6 | 2,4(3H,5H)-Furandione, 3-(1-methylethyl)-
CAS No: 113599-55-6 Catalog No: AG000935 MDL No:
Product Description
Catalog Number:
AG000935
Chemical Name:
2,4(3H,5H)-Furandione, 3-(1-methylethyl)-
CAS Number:
113599-55-6
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
3-propan-2-yloxolane-2,4-dione
InChI:
InChI=1S/C7H10O3/c1-4(2)6-5(8)3-10-7(6)9/h4,6H,3H2,1-2H3
InChI Key:
ZLQOXKIXXXADFT-UHFFFAOYSA-N
SMILES:
CC(C1C(=O)COC1=O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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