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1249858-53-4 | 6-ethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 1249858-53-4 Catalog No: AG01AGZI MDL No:MFCD16070464
Product Description
Catalog Number:
AG01AGZI
Chemical Name:
6-ethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
1249858-53-4
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD16070464
IUPAC Name:
6-ethyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C12H14N2O/c1-2-8-3-4-11-9(5-8)6-10(7-13)12(15)14-11/h6,8H,2-5H2,1H3,(H,14,15)
InChI Key:
ZEZAADUKABWSRG-UHFFFAOYSA-N
SMILES:
CCC1Cc2cc(C#N)c(=O)[nH]c2CC1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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