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97284-34-9 | Naphth(2,1,8-def)isoquinolin-1(2H)-one
CAS No: 97284-34-9 Catalog No: AG005ZV9 MDL No:
Product Description
Catalog Number:
AG005ZV9
Chemical Name:
Naphth(2,1,8-def)isoquinolin-1(2H)-one
CAS Number:
97284-34-9
Molecular Formula:
C15H9NO
Molecular Weight:
219.2381
IUPAC Name:
6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),7,9,11(15),12-heptaen-5-one
InChI:
InChI=1S/C15H9NO/c17-15-12-7-6-10-3-1-2-9-4-5-11(8-16-15)14(12)13(9)10/h1-8H,(H,16,17)
InChI Key:
KPWKQHVVKGWRLS-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.243g/mol
Monoisotopic Mass:
219.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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