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116423-03-1 | Pentanoic acid, 3-acetyl-4-oxo-, 1,1-dimethylethyl ester
CAS No: 116423-03-1 Catalog No: AG000CGF MDL No:MFCD23701764
Product Description
Catalog Number:
AG000CGF
Chemical Name:
Pentanoic acid, 3-acetyl-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
116423-03-1
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
MDL Number:
MFCD23701764
IUPAC Name:
tert-butyl 3-acetyl-4-oxopentanoate
InChI:
InChI=1S/C11H18O4/c1-7(12)9(8(2)13)6-10(14)15-11(3,4)5/h9H,6H2,1-5H3
InChI Key:
SNFYXMPXDXGOGA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CC(C(=O)C)C(=O)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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