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331662-65-8 | 4-Hydroxy-5,7-dimethoxy-3-quinolinecarbonitrile
CAS No: 331662-65-8 Catalog No: AG00CM21 MDL No:MFCD09951496
Product Description
Catalog Number:
AG00CM21
Chemical Name:
4-Hydroxy-5,7-dimethoxy-3-quinolinecarbonitrile
CAS Number:
331662-65-8
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
MDL Number:
MFCD09951496
IUPAC Name:
5,7-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C12H10N2O3/c1-16-8-3-9-11(10(4-8)17-2)12(15)7(5-13)6-14-9/h3-4,6H,1-2H3,(H,14,15)
InChI Key:
VULJFGGTQMATOG-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1c(=O)c(c[nH]2)C#N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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