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89360-38-3 | Propanol, [methyl-2-(2-methylphenoxy)ethoxy]-
CAS No: 89360-38-3 Catalog No: AG003YX7 MDL No:
Product Description
Catalog Number:
AG003YX7
Chemical Name:
Propanol, [methyl-2-(2-methylphenoxy)ethoxy]-
CAS Number:
89360-38-3
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
1-[2-(2-methylphenoxy)propoxy]propan-1-ol
InChI:
InChI=1S/C13H20O3/c1-4-13(14)15-9-11(3)16-12-8-6-5-7-10(12)2/h5-8,11,13-14H,4,9H2,1-3H3
InChI Key:
YKCYHGDJDAOJQA-UHFFFAOYSA-N
SMILES:
CCC(OCC(Oc1ccccc1C)C)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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