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22049-21-4 | 5-(ISOPROPOXYMETHYL)-8-QUINOLINOL
CAS No: 22049-21-4 Catalog No: AG0070SF MDL No:MFCD00741989
Product Description
Catalog Number:
AG0070SF
Chemical Name:
5-(ISOPROPOXYMETHYL)-8-QUINOLINOL
CAS Number:
22049-21-4
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD00741989
IUPAC Name:
5-(propan-2-yloxymethyl)quinolin-8-ol
InChI:
InChI=1S/C13H15NO2/c1-9(2)16-8-10-5-6-12(15)13-11(10)4-3-7-14-13/h3-7,9,15H,8H2,1-2H3
InChI Key:
SEHAKMLLHGQTSZ-UHFFFAOYSA-N
SMILES:
CC(OCc1ccc(c2c1cccn2)O)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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