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Home > Quinoline > 872714-54-0
872714-54-0 | 3-Quinolinecarbonitrile, 4-ethenyl-6-methoxy-
CAS No: 872714-54-0 Catalog No: AG00IEGL MDL No:
Product Description
Catalog Number:
AG00IEGL
Chemical Name:
3-Quinolinecarbonitrile, 4-ethenyl-6-methoxy-
CAS Number:
872714-54-0
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
4-ethenyl-6-methoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C13H10N2O/c1-3-11-9(7-14)8-15-13-5-4-10(16-2)6-12(11)13/h3-6,8H,1H2,2H3
InChI Key:
NWMXWYGJPOKJKV-UHFFFAOYSA-N
SMILES:
C=Cc1c(C#N)cnc2c1cc(OC)cc2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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