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85153-88-4 | 2,2,4-trimethyl-4-tert-butylperoxy-pentane
CAS No: 85153-88-4 Catalog No: AG004WSJ MDL No:
Product Description
Catalog Number:
AG004WSJ
Chemical Name:
2,2,4-trimethyl-4-tert-butylperoxy-pentane
CAS Number:
85153-88-4
Molecular Formula:
C12H26O2
Molecular Weight:
202.3336
IUPAC Name:
2-tert-butylperoxy-2,4,4-trimethylpentane
InChI:
InChI=1S/C12H26O2/c1-10(2,3)9-12(7,8)14-13-11(4,5)6/h9H2,1-8H3
InChI Key:
POHYRDMTJGJYHH-UHFFFAOYSA-N
SMILES:
CC(OOC(CC(C)(C)C)(C)C)(C)C
EC Number:
285-873-8
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.193g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.338g/mol
Monoisotopic Mass:
202.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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