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13043-86-2 | Peroxide, 1-oxobutyl 1-oxopropyl (9CI)
CAS No: 13043-86-2 Catalog No: AG000UF4 MDL No:
Product Description
Catalog Number:
AG000UF4
Chemical Name:
Peroxide, 1-oxobutyl 1-oxopropyl (9CI)
CAS Number:
13043-86-2
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
propanoyl butaneperoxoate
InChI:
InChI=1S/C7H12O4/c1-3-5-7(9)11-10-6(8)4-2/h3-5H2,1-2H3
InChI Key:
WYULPPRZTJMYRA-UHFFFAOYSA-N
SMILES:
CCCC(=O)OOC(=O)CC
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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