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Home > Nitro Compounds > 5825-44-5
5825-44-5 | 1-nitroso-3,4-dihydro-2H-quinoline
CAS No: 5825-44-5 Catalog No: AG01DI3F MDL No:
Product Description
Catalog Number:
AG01DI3F
Chemical Name:
1-nitroso-3,4-dihydro-2H-quinoline
CAS Number:
5825-44-5
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
IUPAC Name:
1-nitroso-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C9H10N2O/c12-10-11-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7H2
InChI Key:
FAWGKYZUQAMFJR-UHFFFAOYSA-N
SMILES:
O=NN1CCCc2c1cccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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