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2305-70-6 | 3-Quinolinecarbonitrile, 4-hydroxy-
CAS No: 2305-70-6 Catalog No: AG002M0E MDL No:MFCD07787027
Product Description
Catalog Number:
AG002M0E
Chemical Name:
3-Quinolinecarbonitrile, 4-hydroxy-
CAS Number:
2305-70-6
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD07787027
IUPAC Name:
4-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-5-7-6-12-9-4-2-1-3-8(9)10(7)13/h1-4,6H,(H,12,13)
InChI Key:
RBNLMAXLHADNEU-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1O)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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