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14446-31-2

14446-31-2 | Isoquinoline, 6-methoxy-3-methyl-

CAS No: 14446-31-2 Catalog No: AG001JKT MDL No:MFCD01846013

Product Description

Catalog Number:
AG001JKT
Chemical Name:
Isoquinoline, 6-methoxy-3-methyl-
CAS Number:
14446-31-2
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD01846013
IUPAC Name:
6-methoxy-3-methylisoquinoline
InChI:
InChI=1S/C11H11NO/c1-8-5-10-6-11(13-2)4-3-9(10)7-12-8/h3-7H,1-2H3
InChI Key:
IRFSFYPWBSAISE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(nc2)C

Properties

Complexity:
172  
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:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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