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130097-36-8 | Neoheptaneperoxoic acid, 1-methyl-1-phenylethyl ester
CAS No: 130097-36-8 Catalog No: AG000TZM MDL No:
Product Description
Catalog Number:
AG000TZM
Chemical Name:
Neoheptaneperoxoic acid, 1-methyl-1-phenylethyl ester
CAS Number:
130097-36-8
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
2-phenylpropan-2-yl 4,4-dimethylpentaneperoxoate
InChI:
InChI=1S/C16H24O3/c1-15(2,3)12-11-14(17)18-19-16(4,5)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChI Key:
WFAUFYAGXAXBEG-UHFFFAOYSA-N
SMILES:
O=C(CCC(C)(C)C)OOC(c1ccccc1)(C)C
EC Number:
603-386-4
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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