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10182-03-3 | Propanedinitrile, 2-(6-methoxy-1-methyl-4(1H)-quinolinylidene)-
CAS No: 10182-03-3 Catalog No: AG0005N5 MDL No:
Product Description
Catalog Number:
AG0005N5
Chemical Name:
Propanedinitrile, 2-(6-methoxy-1-methyl-4(1H)-quinolinylidene)-
CAS Number:
10182-03-3
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
2-(6-methoxy-1-methylquinolin-4-ylidene)propanedinitrile
InChI:
InChI=1S/C14H11N3O/c1-17-6-5-12(10(8-15)9-16)13-7-11(18-2)3-4-14(13)17/h3-7H,1-2H3
InChI Key:
COGSLOPHKFBILH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=C(C#N)C#N)ccn2C
NSC Number:
88273
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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