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1076198-33-8 | 2-(7-ISOQUINOLINYL)ETHANOL
CAS No: 1076198-33-8 Catalog No: AG007E9Z MDL No:
Product Description
Catalog Number:
AG007E9Z
Chemical Name:
2-(7-ISOQUINOLINYL)ETHANOL
CAS Number:
1076198-33-8
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
2-isoquinolin-7-ylethanol
InChI:
InChI=1S/C11H11NO/c13-6-4-9-1-2-10-3-5-12-8-11(10)7-9/h1-3,5,7-8,13H,4,6H2
InChI Key:
CCJUXJIFTBESER-UHFFFAOYSA-N
SMILES:
OCCc1ccc2c(c1)cncc2
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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