Home Nitriles 4-ethoxyquinoline-3-carbonitrile

4-ethoxyquinoline-3-carbonitrile

CAS No.:
69875-50-9
Catalog Number:
AG01AKVP
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
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Product Description
Catalog Number:
AG01AKVP
Chemical Name:
4-ethoxyquinoline-3-carbonitrile
CAS Number:
69875-50-9
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD12115317
IUPAC Name:
4-ethoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C12H10N2O/c1-2-15-12-9(7-13)8-14-11-6-4-3-5-10(11)12/h3-6,8H,2H2,1H3
InChI Key:
YNNZCVACDPGESO-UHFFFAOYSA-N
SMILES:
CCOc1c(C#N)cnc2c1cccc2
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties