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42359-42-2 | 1,3-Dioxo-2-ethyl-2,3-dihydro-1H-benzo[de]isoquinoline-6-ol
CAS No: 42359-42-2 Catalog No: AG00CVR5 MDL No:
Product Description
Catalog Number:
AG00CVR5
Chemical Name:
1,3-Dioxo-2-ethyl-2,3-dihydro-1H-benzo[de]isoquinoline-6-ol
CAS Number:
42359-42-2
IUPAC Name:
2-ethyl-6-hydroxybenzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C14H11NO3/c1-2-15-13(17)9-5-3-4-8-11(16)7-6-10(12(8)9)14(15)18/h3-7,16H,2H2,1H3
InChI Key:
JVGHLMFNEOYLLC-UHFFFAOYSA-N
EC Number:
610-018-6
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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