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3336-49-0

3336-49-0 | Isoquinolin-4-ol

CAS No: 3336-49-0 Catalog No: AG00381B MDL No:MFCD00234514

Product Description

Catalog Number:
AG00381B
Chemical Name:
Isoquinolin-4-ol
CAS Number:
3336-49-0
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD00234514
IUPAC Name:
isoquinolin-4-ol
InChI:
InChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H
InChI Key:
DXTUTXYCHFWRQC-UHFFFAOYSA-N
SMILES:
Oc1cncc2c1cccc2
NSC Number:
153682

Properties

Complexity:
138  
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:
2  
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:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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