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114196-65-5 | Methanone, 3-isoquinolinyl-2-thienyl-
CAS No: 114196-65-5 Catalog No: AG000ARN MDL No:
Product Description
Catalog Number:
AG000ARN
Chemical Name:
Methanone, 3-isoquinolinyl-2-thienyl-
CAS Number:
114196-65-5
Molecular Formula:
C14H9NOS
Molecular Weight:
239.2924
IUPAC Name:
3-isoquinolin-1-ylthiophene-2-carbaldehyde
InChI:
InChI=1S/C14H9NOS/c16-9-13-12(6-8-17-13)14-11-4-2-1-3-10(11)5-7-15-14/h1-9H
InChI Key:
OXTQVFXTMHHJPX-UHFFFAOYSA-N
SMILES:
O=Cc1sccc1c1nccc2c1cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.292g/mol
Monoisotopic Mass:
239.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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