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28448-08-0 | 3-Quinolinecarbonitrile,1,2-dihydro-1-methyl-2-oxo-(8CI,9CI)
CAS No: 28448-08-0 Catalog No: AG00CET9 MDL No:MFCD08754094
Product Description
Catalog Number:
AG00CET9
Chemical Name:
3-Quinolinecarbonitrile,1,2-dihydro-1-methyl-2-oxo-(8CI,9CI)
CAS Number:
28448-08-0
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD08754094
IUPAC Name:
1-methyl-2-oxoquinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-13-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-6H,1H3
InChI Key:
XHQPJFYUICYHHN-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccccc2n(c1=O)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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