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2044871-24-9 | N,N-dimethyl-3-oxo-2,3-dihydroisoquinoline-8-carboxamide
CAS No: 2044871-24-9 Catalog No: AG01B6F4 MDL No:MFCD30476125
Product Description
Catalog Number:
AG01B6F4
Chemical Name:
N,N-dimethyl-3-oxo-2,3-dihydroisoquinoline-8-carboxamide
CAS Number:
2044871-24-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD30476125
IUPAC Name:
N,N-dimethyl-3-oxo-2H-isoquinoline-8-carboxamide
InChI:
InChI=1S/C12H12N2O2/c1-14(2)12(16)9-5-3-4-8-6-11(15)13-7-10(8)9/h3-7H,1-2H3,(H,13,15)
InChI Key:
ABWRIGJMXIZTSU-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cccc2c1c[nH]c(=O)c2)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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