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137314-71-7 | Butaneperoxoic acid, 3-oxo-, butyl ester
CAS No: 137314-71-7 Catalog No: AG001336 MDL No:
Product Description
Catalog Number:
AG001336
Chemical Name:
Butaneperoxoic acid, 3-oxo-, butyl ester
CAS Number:
137314-71-7
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
butyl 3-oxobutaneperoxoate
InChI:
InChI=1S/C8H14O4/c1-3-4-5-11-12-8(10)6-7(2)9/h3-6H2,1-2H3
InChI Key:
FDVCVOYIOSFPBJ-UHFFFAOYSA-N
SMILES:
CCCCOOC(=O)CC(=O)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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