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138504-37-7

138504-37-7 | Peroxide, 2,3-dihydro-1,3,3-trimethyl-1H-inden-1-yl 1,1-dimethylethyl (9CI)

CAS No: 138504-37-7 Catalog No: AG0019BE MDL No:

Product Description

Catalog Number:
AG0019BE
Chemical Name:
Peroxide, 2,3-dihydro-1,3,3-trimethyl-1H-inden-1-yl 1,1-dimethylethyl (9CI)
CAS Number:
138504-37-7
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
IUPAC Name:
1-tert-butylperoxy-1,3,3-trimethyl-2H-indene
InChI:
InChI=1S/C16H24O2/c1-14(2,3)17-18-16(6)11-15(4,5)12-9-7-8-10-13(12)16/h7-10H,11H2,1-6H3
InChI Key:
AHVFHVYGMOYLLF-UHFFFAOYSA-N
SMILES:
CC(OOC1(C)CC(c2c1cccc2)(C)C)(C)C

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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