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1417640-32-4 | N,N-dimethyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CAS No: 1417640-32-4 Catalog No: AG01B77V MDL No:MFCD28335192
Product Description
Catalog Number:
AG01B77V
Chemical Name:
N,N-dimethyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CAS Number:
1417640-32-4
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD28335192
IUPAC Name:
N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide
InChI:
InChI=1S/C12H12N2O2/c1-14(2)12(16)10-7-13-11(15)9-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,15)
InChI Key:
OYRZTRJAYYQJFB-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1c[nH]c(=O)c2c1cccc2)C
Properties
Complexity:
347
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:
0.5
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