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10081-37-5 | 2-Buteneperoxoic acid, 4-butoxy-4-oxo-, 1,1-dimethylethyl ester, (2E)- (9CI)
CAS No: 10081-37-5 Catalog No: AG0002Y1 MDL No:
Product Description
Catalog Number:
AG0002Y1
Chemical Name:
2-Buteneperoxoic acid, 4-butoxy-4-oxo-, 1,1-dimethylethyl ester, (2E)- (9CI)
CAS Number:
10081-37-5
Molecular Formula:
C12H20O5
Molecular Weight:
244.2842
IUPAC Name:
butyl 4-tert-butylperoxy-4-oxobut-2-enoate
InChI:
InChI=1S/C12H20O5/c1-5-6-9-15-10(13)7-8-11(14)16-17-12(2,3)4/h7-8H,5-6,9H2,1-4H3
InChI Key:
XSCVKSXHSGNHGT-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)/C=C/C(=O)OOC(C)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.287g/mol
Monoisotopic Mass:
244.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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