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76884-34-9

76884-34-9 | Isoquinolin-3-ylmethanol

CAS No: 76884-34-9 Catalog No: AG005G4Z MDL No:MFCD01859798

Product Description

Catalog Number:
AG005G4Z
Chemical Name:
Isoquinolin-3-ylmethanol
CAS Number:
76884-34-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD01859798
IUPAC Name:
isoquinolin-3-ylmethanol
InChI:
InChI=1S/C10H9NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-6,12H,7H2
InChI Key:
CMGQQHGOFWZGJH-UHFFFAOYSA-N
SMILES:
OCc1ncc2c(c1)cccc2

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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