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Home > Nitro Compounds > 29969-52-6
29969-52-6 | 1-methyl-6-nitroquinolin-2(1H)-one
CAS No: 29969-52-6 Catalog No: AG01DDYY MDL No:MFCD00158546
Product Description
Catalog Number:
AG01DDYY
Chemical Name:
1-methyl-6-nitroquinolin-2(1H)-one
CAS Number:
29969-52-6
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD00158546
IUPAC Name:
1-methyl-6-nitroquinolin-2-one
InChI:
InChI=1S/C10H8N2O3/c1-11-9-4-3-8(12(14)15)6-7(9)2-5-10(11)13/h2-6H,1H3
InChI Key:
FYLDFVUYAHNIOM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccc(=O)n2C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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