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Home > Nitro Compounds > 84531-36-2

84531-36-2

84531-36-2 | 3-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridine

CAS No: 84531-36-2 Catalog No: AG004RAS MDL No:MFCD09800609

Product Description

Catalog Number:
AG004RAS
Chemical Name:
3-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridine
CAS Number:
84531-36-2
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD09800609
IUPAC Name:
3-nitro-6,7-dihydro-5H-cyclopenta[b]pyridine
InChI:
InChI=1S/C8H8N2O2/c11-10(12)7-4-6-2-1-3-8(6)9-5-7/h4-5H,1-3H2
InChI Key:
MOSHQQPJHRYIHH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1)CCC2

Properties

Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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