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81-83-4 | 1H-Benzo[de]isoquinoline-1,3(2H)-dione
CAS No: 81-83-4 Catalog No: AG003B0U MDL No:MFCD00006920
Product Description
Catalog Number:
AG003B0U
Chemical Name:
1H-Benzo[de]isoquinoline-1,3(2H)-dione
CAS Number:
81-83-4
Molecular Formula:
C12H7NO2
Molecular Weight:
197.1895
MDL Number:
MFCD00006920
IUPAC Name:
benzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
InChI Key:
XJHABGPPCLHLLV-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c3c1cccc3ccc2
EC Number:
201-379-7
UNII:
GI0TV19GBN
NSC Number:
11011
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.193g/mol
Monoisotopic Mass:
197.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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