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79588-44-6 | 1-Butanol, 4-([1,1'-biphenyl]-4-yloxy)-
CAS No: 79588-44-6 Catalog No: AG0051A7 MDL No:MFCD12080312
Product Description
Catalog Number:
AG0051A7
Chemical Name:
1-Butanol, 4-([1,1'-biphenyl]-4-yloxy)-
CAS Number:
79588-44-6
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
MDL Number:
MFCD12080312
IUPAC Name:
4-(4-phenylphenoxy)butan-1-ol
InChI:
InChI=1S/C16H18O2/c17-12-4-5-13-18-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2
InChI Key:
LDHCMYHXKTWKHI-UHFFFAOYSA-N
SMILES:
OCCCCOc1ccc(cc1)c1ccccc1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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