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19382-58-2 | 3-methylimidazo[5,1-a]isoquinoline
CAS No: 19382-58-2 Catalog No: AG0074VD MDL No:
Product Description
Catalog Number:
AG0074VD
Chemical Name:
3-methylimidazo[5,1-a]isoquinoline
CAS Number:
19382-58-2
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
IUPAC Name:
3-methylimidazo[5,1-a]isoquinoline
InChI:
InChI=1S/C12H10N2/c1-9-13-8-12-11-5-3-2-4-10(11)6-7-14(9)12/h2-8H,1H3
InChI Key:
HLMAFBFMRQXZHK-UHFFFAOYSA-N
SMILES:
Cc1ncc2n1ccc1c2cccc1
NSC Number:
71250
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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