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Home > Nitro Compounds > 88382-09-6
88382-09-6 | Piperidine, 2-propyl-, compd. with 2,4,6-trinitrophenol
CAS No: 88382-09-6 Catalog No: AG004M28 MDL No:
Product Description
Catalog Number:
AG004M28
Chemical Name:
Piperidine, 2-propyl-, compd. with 2,4,6-trinitrophenol
CAS Number:
88382-09-6
Molecular Formula:
C14H20N4O7
Molecular Weight:
356.3312
IUPAC Name:
2-propylpiperidine;2,4,6-trinitrophenol
InChI:
InChI=1S/C8H17N.C6H3N3O7/c1-2-5-8-6-3-4-7-9-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-9H,2-7H2,1H3;1-2,10H
InChI Key:
NHOCEUFBKMQPJD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CCCC1CCCCN1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.335g/mol
Monoisotopic Mass:
356.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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