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1005772-69-9

1005772-69-9 | 4-Isoquinolinecarboxaldehyde, 1-methoxy-

CAS No: 1005772-69-9 Catalog No: AG0002DP MDL No:MFCD24685170

Product Description

Catalog Number:
AG0002DP
Chemical Name:
4-Isoquinolinecarboxaldehyde, 1-methoxy-
CAS Number:
1005772-69-9
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD24685170
IUPAC Name:
1-methoxyisoquinoline-4-carbaldehyde
InChI:
InChI=1S/C11H9NO2/c1-14-11-10-5-3-2-4-9(10)8(7-13)6-12-11/h2-7H,1H3
InChI Key:
BHEHOJBPPYHICZ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(c2c1cccc2)OC

Properties

Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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