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1443340-22-4 | 1-(4-Methoxymethylphenyl)-1-butanol
CAS No: 1443340-22-4 Catalog No: AG01EU28 MDL No:
Product Description
Catalog Number:
AG01EU28
Chemical Name:
1-(4-Methoxymethylphenyl)-1-butanol
CAS Number:
1443340-22-4
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
1-[4-(methoxymethyl)phenyl]butan-1-ol
InChI:
InChI=1S/C12H18O2/c1-3-4-12(13)11-7-5-10(6-8-11)9-14-2/h5-8,12-13H,3-4,9H2,1-2H3
InChI Key:
LKTKOXMPDNSYQQ-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(cc1)COC)O
Properties
Complexity:
139
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:
1
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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