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88805-25-8 | Cyclohexanecarboxylic acid, 4-acetyl-3,5-dioxo-, propyl ester
CAS No: 88805-25-8 Catalog No: AG004AHG MDL No:
Product Description
Catalog Number:
AG004AHG
Chemical Name:
Cyclohexanecarboxylic acid, 4-acetyl-3,5-dioxo-, propyl ester
CAS Number:
88805-25-8
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
IUPAC Name:
propyl 4-acetyl-3,5-dioxocyclohexane-1-carboxylate
InChI:
InChI=1S/C12H16O5/c1-3-4-17-12(16)8-5-9(14)11(7(2)13)10(15)6-8/h8,11H,3-6H2,1-2H3
InChI Key:
FURUJKQSLYEILD-UHFFFAOYSA-N
SMILES:
CCCOC(=O)C1CC(=O)C(C(=O)C1)C(=O)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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