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13043-82-8 | Peroxide, acetyl 1-oxopropyl (9CI)
CAS No: 13043-82-8 Catalog No: AG000UF6 MDL No:
Product Description
Catalog Number:
AG000UF6
Chemical Name:
Peroxide, acetyl 1-oxopropyl (9CI)
CAS Number:
13043-82-8
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
IUPAC Name:
acetyl propaneperoxoate
InChI:
InChI=1S/C5H8O4/c1-3-5(7)9-8-4(2)6/h3H2,1-2H3
InChI Key:
CMMQQIFVGYKMCA-UHFFFAOYSA-N
SMILES:
CCC(=O)OOC(=O)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.042g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.115g/mol
Monoisotopic Mass:
132.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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