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1823943-50-5 | 3-Isoquinolinecarboxamide, 1-methyl-
CAS No: 1823943-50-5 Catalog No: AG0023TW MDL No:
Product Description
Catalog Number:
AG0023TW
Chemical Name:
3-Isoquinolinecarboxamide, 1-methyl-
CAS Number:
1823943-50-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
1-methylisoquinoline-3-carboxamide
InChI:
InChI=1S/C11H10N2O/c1-7-9-5-3-2-4-8(9)6-10(13-7)11(12)14/h2-6H,1H3,(H2,12,14)
InChI Key:
PHGLBQMNOQCDGP-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc2ccccc2c(n1)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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