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20744-00-7 | Benzene, 1-methoxy-4-(3-methylbutoxy)-
CAS No: 20744-00-7 Catalog No: AG002J1Z MDL No:
Product Description
Catalog Number:
AG002J1Z
Chemical Name:
Benzene, 1-methoxy-4-(3-methylbutoxy)-
CAS Number:
20744-00-7
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
1-methoxy-4-(3-methylbutoxy)benzene
InChI:
InChI=1S/C12H18O2/c1-10(2)8-9-14-12-6-4-11(13-3)5-7-12/h4-7,10H,8-9H2,1-3H3
InChI Key:
OYLQCUOETLHMOD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCCC(C)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Screening of dialkoxybenzenes and disubstituted cyclopentene derivatives against the cabbage looper, Trichoplusia ni, for the discovery of new feeding and oviposition deterrents. | Journal of agricultural and food chemistry 20071212 |
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