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22817-26-1 | 2,3-Dihydro-1H-benzo[de]isoquinoline
CAS No: 22817-26-1 Catalog No: AG003FIS MDL No:MFCD01075706
Product Description
Catalog Number:
AG003FIS
Chemical Name:
2,3-Dihydro-1H-benzo[de]isoquinoline
CAS Number:
22817-26-1
Molecular Formula:
C12H11N
Molecular Weight:
169.2224
MDL Number:
MFCD01075706
IUPAC Name:
2,3-dihydro-1H-benzo[de]isoquinoline
InChI:
InChI=1S/C12H11N/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11/h1-6,13H,7-8H2
InChI Key:
NBWCGDRKSOXZNI-UHFFFAOYSA-N
SMILES:
N1Cc2cccc3c2c(C1)ccc3
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.227g/mol
Monoisotopic Mass:
169.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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