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101267-47-4 | Peroxide, 2,3-dihydro-1H-inden-1-yl 1,1-dimethylethyl
CAS No: 101267-47-4 Catalog No: AG00043X MDL No:
Product Description
Catalog Number:
AG00043X
Chemical Name:
Peroxide, 2,3-dihydro-1H-inden-1-yl 1,1-dimethylethyl
CAS Number:
101267-47-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
1-tert-butylperoxy-2,3-dihydro-1H-indene
InChI:
InChI=1S/C13H18O2/c1-13(2,3)15-14-12-9-8-10-6-4-5-7-11(10)12/h4-7,12H,8-9H2,1-3H3
InChI Key:
ZVLBCDZGBVGRRK-UHFFFAOYSA-N
SMILES:
CC(OOC1CCc2c1cccc2)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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