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1000548-45-7 | 3-Quinolineethanol
CAS No: 1000548-45-7 Catalog No: AG0000PE MDL No:
Product Description
Catalog Number:
AG0000PE
Chemical Name:
3-Quinolineethanol
CAS Number:
1000548-45-7
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
2-quinolin-3-ylethanol
InChI:
InChI=1S/C11H11NO/c13-6-5-9-7-10-3-1-2-4-11(10)12-8-9/h1-4,7-8,13H,5-6H2
InChI Key:
KMYODCXGVMLGJT-UHFFFAOYSA-N
SMILES:
OCCc1cnc2c(c1)cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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