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100518-70-5 | Hydroperoxide, 1-(2-naphthalenyl)ethyl
CAS No: 100518-70-5 Catalog No: AG00028A MDL No:
Product Description
Catalog Number:
AG00028A
Chemical Name:
Hydroperoxide, 1-(2-naphthalenyl)ethyl
CAS Number:
100518-70-5
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
2-(1-hydroperoxyethyl)naphthalene
InChI:
InChI=1S/C12H12O2/c1-9(14-13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3
InChI Key:
NCWFLBMENGYZOO-UHFFFAOYSA-N
SMILES:
OOC(c1ccc2c(c1)cccc2)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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