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214476-07-0 | 3-Quinolinecarbonitrile,7-ethoxy-4-hydroxy-(9CI)
CAS No: 214476-07-0 Catalog No: AG00BF1T MDL No:MFCD13181133
Product Description
Catalog Number:
AG00BF1T
Chemical Name:
3-Quinolinecarbonitrile,7-ethoxy-4-hydroxy-(9CI)
CAS Number:
214476-07-0
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD13181133
IUPAC Name:
7-ethoxy-4-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C12H10N2O2/c1-2-16-9-3-4-10-11(5-9)14-7-8(6-13)12(10)15/h3-5,7H,2H2,1H3,(H,14,15)
InChI Key:
KCRWFINJQDRSKE-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)ncc(c2O)C#N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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