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13043-83-9 | Peroxide, acetyl 1-oxobutyl (9CI)
CAS No: 13043-83-9 Catalog No: AG000UF5 MDL No:
Product Description
Catalog Number:
AG000UF5
Chemical Name:
Peroxide, acetyl 1-oxobutyl (9CI)
CAS Number:
13043-83-9
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
acetyl butaneperoxoate
InChI:
InChI=1S/C6H10O4/c1-3-4-6(8)10-9-5(2)7/h3-4H2,1-2H3
InChI Key:
GOZIYDNIQSQFSK-UHFFFAOYSA-N
SMILES:
CCCC(=O)OOC(=O)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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