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2059938-64-4 | 2,4,6-trihydroxyquinoline-3-carbonitrile
CAS No: 2059938-64-4 Catalog No: AG01B74Y MDL No:MFCD30344977
Product Description
Catalog Number:
AG01B74Y
Chemical Name:
2,4,6-trihydroxyquinoline-3-carbonitrile
CAS Number:
2059938-64-4
Molecular Formula:
C10H6N2O3
Molecular Weight:
202.1662
MDL Number:
MFCD30344977
IUPAC Name:
4,6-dihydroxy-2-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H6N2O3/c11-4-7-9(14)6-3-5(13)1-2-8(6)12-10(7)15/h1-3,13H,(H2,12,14,15)
InChI Key:
IYQOSBZCTQEJJB-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)nc2c(c1O)cc(cc2)O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.169g/mol
Monoisotopic Mass:
202.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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