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855633-82-8 | 3-(2-Methylbenzoyl)quinoline
CAS No: 855633-82-8 Catalog No: AG01EXTE MDL No:
Product Description
Catalog Number:
AG01EXTE
Chemical Name:
3-(2-Methylbenzoyl)quinoline
CAS Number:
855633-82-8
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
IUPAC Name:
(2-methylphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C17H13NO/c1-12-6-2-4-8-15(12)17(19)14-10-13-7-3-5-9-16(13)18-11-14/h2-11H,1H3
InChI Key:
JRWUBZOTSZCQAI-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.297g/mol
Monoisotopic Mass:
247.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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