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Home Other Building Blocks 3-Isoquinolinol(9CI)

3-Isoquinolinol(9CI)

CAS No.:
134434-31-4
Catalog Number:
AG00AIG7
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
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Product Description
Catalog Number:
AG00AIG7
Chemical Name:
3-Isoquinolinol(9CI)
CAS Number:
134434-31-4
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
2H-isoquinolin-3-one
InChI:
InChI=1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6H,(H,10,11)
InChI Key:
GYPOFOQUZZUVQL-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc2c(c1)cccc2
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Systematic effect of benzo-annelation on oxo-hydroxy tautomerism of heterocyclic compounds. Experimental matrix-isolation and theoretical study. The journal of physical chemistry. A 20070614
[Inhibition of the arachidonic acid cascade by aza-2-aryl-1,4-naphthoquinone derivatives]. Die Pharmazie 20041201
Properties