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30559-52-5 | Propaneperoxoic acid, 3-chloro-2,2-dimethyl-, 1,1-dimethylethyl ester
CAS No: 30559-52-5 Catalog No: AG0030JI MDL No:
Product Description
Catalog Number:
AG0030JI
Chemical Name:
Propaneperoxoic acid, 3-chloro-2,2-dimethyl-, 1,1-dimethylethyl ester
CAS Number:
30559-52-5
Molecular Formula:
C9H17ClO3
Molecular Weight:
208.6825
IUPAC Name:
tert-butyl 3-chloro-2,2-dimethylpropaneperoxoate
InChI:
InChI=1S/C9H17ClO3/c1-8(2,3)13-12-7(11)9(4,5)6-10/h6H2,1-5H3
InChI Key:
HGBRQSJLJYEGMA-UHFFFAOYSA-N
SMILES:
ClCC(C(=O)OOC(C)(C)C)(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.682g/mol
Monoisotopic Mass:
208.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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