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Home > Nitro Compounds > 22246-16-8
22246-16-8 | 6-Nitro-3,4-dihydroquinolin-2(1H);-one
CAS No: 22246-16-8 Catalog No: AG003NB9 MDL No:MFCD00559317
Product Description
Catalog Number:
AG003NB9
Chemical Name:
6-Nitro-3,4-dihydroquinolin-2(1H);-one
CAS Number:
22246-16-8
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD00559317
IUPAC Name:
6-nitro-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C9H8N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h2-3,5H,1,4H2,(H,10,12)
InChI Key:
NQMSVHWAVMTBHK-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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