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85981-59-5 | Hydroperoxide, 3-(4-methoxyphenyl)-1,1-dimethylpropyl
CAS No: 85981-59-5 Catalog No: AG004VNU MDL No:
Product Description
Catalog Number:
AG004VNU
Chemical Name:
Hydroperoxide, 3-(4-methoxyphenyl)-1,1-dimethylpropyl
CAS Number:
85981-59-5
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
1-(3-hydroperoxy-3-methylbutyl)-4-methoxybenzene
InChI:
InChI=1S/C12H18O3/c1-12(2,15-13)9-8-10-4-6-11(14-3)7-5-10/h4-7,13H,8-9H2,1-3H3
InChI Key:
YKGZBIWHRMEKRP-UHFFFAOYSA-N
SMILES:
OOC(CCc1ccc(cc1)OC)(C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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