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184906-10-3

184906-10-3 | Benz[h]isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide

CAS No: 184906-10-3 Catalog No: AG0074S2 MDL No:

Product Description

Catalog Number:
AG0074S2
Chemical Name:
Benz[h]isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
CAS Number:
184906-10-3
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
3,3-dimethyl-2-oxido-4H-benzo[h]isoquinolin-2-ium
InChI:
InChI=1S/C15H15NO/c1-15(2)9-12-8-7-11-5-3-4-6-13(11)14(12)10-16(15)17/h3-8,10H,9H2,1-2H3
InChI Key:
KQVIONMBAZCSCI-UHFFFAOYSA-N
SMILES:
[O-][N+]1=Cc2c(CC1(C)C)ccc1c2cccc1

Properties

Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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