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897037-78-4 | Hexaneperoxoic acid, 6-iodo-, 1,1-dimethylethyl ester
CAS No: 897037-78-4 Catalog No: AG00885P MDL No:
Product Description
Catalog Number:
AG00885P
Chemical Name:
Hexaneperoxoic acid, 6-iodo-, 1,1-dimethylethyl ester
CAS Number:
897037-78-4
Molecular Formula:
C10H19IO3
Molecular Weight:
314.1605
IUPAC Name:
tert-butyl 6-iodohexaneperoxoate
InChI:
InChI=1S/C10H19IO3/c1-10(2,3)14-13-9(12)7-5-4-6-8-11/h4-8H2,1-3H3
InChI Key:
ICZGVYMLCFBERD-UHFFFAOYSA-N
SMILES:
ICCCCCC(=O)OOC(C)(C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.163g/mol
Monoisotopic Mass:
314.038g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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