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114810-61-6 | Benzene, 1-ethyl-4-(4-phenoxybutoxy)-
CAS No: 114810-61-6 Catalog No: AG000F9I MDL No:
Product Description
Catalog Number:
AG000F9I
Chemical Name:
Benzene, 1-ethyl-4-(4-phenoxybutoxy)-
CAS Number:
114810-61-6
Molecular Formula:
C18H22O2
Molecular Weight:
270.3661
IUPAC Name:
1-ethyl-4-(4-phenoxybutoxy)benzene
InChI:
InChI=1S/C18H22O2/c1-2-16-10-12-18(13-11-16)20-15-7-6-14-19-17-8-4-3-5-9-17/h3-5,8-13H,2,6-7,14-15H2,1H3
InChI Key:
SBAKIVDXBWTNDW-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)OCCCCOc1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.372g/mol
Monoisotopic Mass:
270.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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