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Home > Nitro Compounds > 20136-46-3
20136-46-3 | Quinoline, 1,4-dihydro-1-methyl-4-(3-nitro-2-penten-1-ylidene)-
CAS No: 20136-46-3 Catalog No: AG002DDG MDL No:
Product Description
Catalog Number:
AG002DDG
Chemical Name:
Quinoline, 1,4-dihydro-1-methyl-4-(3-nitro-2-penten-1-ylidene)-
CAS Number:
20136-46-3
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
1-methyl-4-(3-nitropent-2-enylidene)quinoline
InChI:
InChI=1S/C15H16N2O2/c1-3-13(17(18)19)9-8-12-10-11-16(2)15-7-5-4-6-14(12)15/h4-11H,3H2,1-2H3
InChI Key:
YOZOIJCVRSMMPO-UHFFFAOYSA-N
SMILES:
CCC(=CC=c1ccn(c2c1cccc2)C)[N+](=O)[O-]
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.5
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