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Home > Nitro Compounds > 66336-02-5
66336-02-5 | 1-ethyl-5-nitro-1,2-dihydropyridin-2-one
CAS No: 66336-02-5 Catalog No: AG00IYI0 MDL No:MFCD00139913
Product Description
Catalog Number:
AG00IYI0
Chemical Name:
1-ethyl-5-nitro-1,2-dihydropyridin-2-one
CAS Number:
66336-02-5
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD00139913
IUPAC Name:
1-ethyl-5-nitropyridin-2-one
InChI:
InChI=1S/C7H8N2O3/c1-2-8-5-6(9(11)12)3-4-7(8)10/h3-5H,2H2,1H3
InChI Key:
SLIBFQMZBMIHMS-UHFFFAOYSA-N
SMILES:
CCn1cc(ccc1=O)[N+](=O)[O-]
NSC Number:
165482
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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