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89242-38-6 | 3-Isoquinolinecarboxylic acid, 1-(2-thienyl)-
CAS No: 89242-38-6 Catalog No: AG0042M6 MDL No:
Product Description
Catalog Number:
AG0042M6
Chemical Name:
3-Isoquinolinecarboxylic acid, 1-(2-thienyl)-
CAS Number:
89242-38-6
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
IUPAC Name:
1-thiophen-2-ylisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C14H9NO2S/c16-14(17)11-8-9-4-1-2-5-10(9)13(15-11)12-6-3-7-18-12/h1-8H,(H,16,17)
InChI Key:
ATBODLURBKBOFS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2ccccc2c(n1)c1cccs1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.291g/mol
Monoisotopic Mass:
255.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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