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120007-98-9 | Hydroperoxide, 1-(4-methoxyphenyl)ethyl
CAS No: 120007-98-9 Catalog No: AG000Q2U MDL No:
Product Description
Catalog Number:
AG000Q2U
Chemical Name:
Hydroperoxide, 1-(4-methoxyphenyl)ethyl
CAS Number:
120007-98-9
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
1-(1-hydroperoxyethyl)-4-methoxybenzene
InChI:
InChI=1S/C9H12O3/c1-7(12-10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3
InChI Key:
AJDDVJNFIYETMN-UHFFFAOYSA-N
SMILES:
OOC(c1ccc(cc1)OC)C
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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