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124237-06-5 | 2,4-Pentanedione, 1,1-diethoxy-
CAS No: 124237-06-5 Catalog No: AG000LR9 MDL No:MFCD16868326
Product Description
Catalog Number:
AG000LR9
Chemical Name:
2,4-Pentanedione, 1,1-diethoxy-
CAS Number:
124237-06-5
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD16868326
IUPAC Name:
1,1-diethoxypentane-2,4-dione
InChI:
InChI=1S/C9H16O4/c1-4-12-9(13-5-2)8(11)6-7(3)10/h9H,4-6H2,1-3H3
InChI Key:
QITFDNSIJJTVIZ-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)CC(=O)C)OCC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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