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87486-29-1 | 7-methoxy-1,2-dimethyl-3,4-dioxo-isoquinoline-1-carbonitrile
CAS No: 87486-29-1 Catalog No: AG004FL2 MDL No:
Product Description
Catalog Number:
AG004FL2
Chemical Name:
7-methoxy-1,2-dimethyl-3,4-dioxo-isoquinoline-1-carbonitrile
CAS Number:
87486-29-1
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
7-methoxy-1,2-dimethyl-3,4-dioxoisoquinoline-1-carbonitrile
InChI:
InChI=1S/C13H12N2O3/c1-13(7-14)10-6-8(18-3)4-5-9(10)11(16)12(17)15(13)2/h4-6H,1-3H3
InChI Key:
GIJQKJVVXCTEGX-UHFFFAOYSA-N
SMILES:
N#CC1(C)N(C)C(=O)C(=O)c2c1cc(OC)cc2
NSC Number:
382300
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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