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16173-54-9 | Heptaneperoxoic acid, 1,1-dimethylethyl ester
CAS No: 16173-54-9 Catalog No: AG001VUZ MDL No:
Product Description
Catalog Number:
AG001VUZ
Chemical Name:
Heptaneperoxoic acid, 1,1-dimethylethyl ester
CAS Number:
16173-54-9
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
tert-butyl heptaneperoxoate
InChI:
InChI=1S/C11H22O3/c1-5-6-7-8-9-10(12)13-14-11(2,3)4/h5-9H2,1-4H3
InChI Key:
KXXVYHRSWQEUBX-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)OOC(C)(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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