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18833-41-5 | 1H-Benz[de]isoquinolin-1-one, 2,3-dihydro-
CAS No: 18833-41-5 Catalog No: AG002GTH MDL No:MFCD03265285
Product Description
Catalog Number:
AG002GTH
Chemical Name:
1H-Benz[de]isoquinolin-1-one, 2,3-dihydro-
CAS Number:
18833-41-5
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD03265285
IUPAC Name:
1,2-dihydrobenzo[h]isoquinoline-3-carboxylic acid
InChI:
InChI=1S/C14H11NO2/c16-14(17)13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-15-13/h1-7,15H,8H2,(H,16,17)
InChI Key:
NCIODAYEUBTNTA-UHFFFAOYSA-N
SMILES:
O=C1NCc2c3c1cccc3ccc2
Properties
Complexity:
350
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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