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Home > Nitro Compounds > 18953-36-1
18953-36-1 | Piperidine, 1-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 18953-36-1 Catalog No: AG002DR4 MDL No:
Product Description
Catalog Number:
AG002DR4
Chemical Name:
Piperidine, 1-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
18953-36-1
Molecular Formula:
C12H16N4O7
Molecular Weight:
328.2780
IUPAC Name:
1-methylpiperidine;2,4,6-trinitrophenol
InChI:
InChI=1S/C6H3N3O7.C6H13N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-7-5-3-2-4-6-7/h1-2,10H;2-6H2,1H3
InChI Key:
KKOHAMZJIFDWOJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CN1CCCCC1
NSC Number:
69707
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.102g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.281g/mol
Monoisotopic Mass:
328.102g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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