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Home > Quinoline > 1186230-86-3
1186230-86-3 | 4-Oxo-1,4-dihydroquinoline-7-carbonitrile
CAS No: 1186230-86-3 Catalog No: AG0075R8 MDL No:MFCD18803146
Product Description
Catalog Number:
AG0075R8
Chemical Name:
4-Oxo-1,4-dihydroquinoline-7-carbonitrile
CAS Number:
1186230-86-3
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD18803146
IUPAC Name:
4-oxo-1H-quinoline-7-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-6-7-1-2-8-9(5-7)12-4-3-10(8)13/h1-5H,(H,12,13)
InChI Key:
RLPFPQFPWYYNOP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]ccc2=O
Properties
Complexity:
299
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:
0.3
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