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Home > Nitro Compounds > 88631-68-9
88631-68-9 | Pyridine, 2,3,4,5-tetrahydro-5-[(4-nitrophenyl)methylene]-
CAS No: 88631-68-9 Catalog No: AG004A7M MDL No:
Product Description
Catalog Number:
AG004A7M
Chemical Name:
Pyridine, 2,3,4,5-tetrahydro-5-[(4-nitrophenyl)methylene]-
CAS Number:
88631-68-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
5-[(4-nitrophenyl)methylidene]-3,4-dihydro-2H-pyridine
InChI:
InChI=1S/C12H12N2O2/c15-14(16)12-5-3-10(4-6-12)8-11-2-1-7-13-9-11/h3-6,8-9H,1-2,7H2
InChI Key:
ZPLRDPXZNAIPLA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C=C1CCCN=C1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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