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65738-24-1 | 2,3-Dihydro-5-methoxy-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-6-carbaldehyde
CAS No: 65738-24-1 Catalog No: AG006P3N MDL No:
Product Description
Catalog Number:
AG006P3N
Chemical Name:
2,3-Dihydro-5-methoxy-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-6-carbaldehyde
CAS Number:
65738-24-1
Molecular Formula:
C15H11NO4
Molecular Weight:
269.2521
IUPAC Name:
5-methoxy-2-methyl-1,3-dioxobenzo[de]isoquinoline-6-carbaldehyde
InChI:
InChI=1S/C15H11NO4/c1-16-14(18)9-5-3-4-8-11(7-17)12(20-2)6-10(13(8)9)15(16)19/h3-7H,1-2H3
InChI Key:
GOUMEIKYAMBCGX-UHFFFAOYSA-N
SMILES:
COc1cc2c3c(c1C=O)cccc3c(=O)n(c2=O)C
EC Number:
265-902-0
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.256g/mol
Monoisotopic Mass:
269.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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