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2896-23-3 | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-ethyl-
CAS No: 2896-23-3 Catalog No: AG00I5E0 MDL No:MFCD00682943
Product Description
Catalog Number:
AG00I5E0
Chemical Name:
1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-ethyl-
CAS Number:
2896-23-3
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
MDL Number:
MFCD00682943
IUPAC Name:
2-ethylbenzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C14H11NO2/c1-2-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,2H2,1H3
InChI Key:
YATFILGBMGSWTE-UHFFFAOYSA-N
SMILES:
CCn1c(=O)c2cccc3c2c(c1=O)ccc3
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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