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1415559-74-8 | 1-(8-(3-methoxypropoxy)isoquinolin-6-yl)ethanol
CAS No: 1415559-74-8 Catalog No: AG00IM3S MDL No:
Product Description
Catalog Number:
AG00IM3S
Chemical Name:
1-(8-(3-methoxypropoxy)isoquinolin-6-yl)ethanol
CAS Number:
1415559-74-8
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
1-[8-(3-methoxypropoxy)isoquinolin-6-yl]ethanol
InChI:
InChI=1S/C15H19NO3/c1-11(17)13-8-12-4-5-16-10-14(12)15(9-13)19-7-3-6-18-2/h4-5,8-11,17H,3,6-7H2,1-2H3
InChI Key:
PXCWFFJYUGGCOD-UHFFFAOYSA-N
SMILES:
COCCCOc1cc(cc2c1cncc2)C(O)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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