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Home > Nitro Compounds > 893765-34-9
893765-34-9 | 1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine
CAS No: 893765-34-9 Catalog No: AG01E9LL MDL No:
Product Description
Catalog Number:
AG01E9LL
Chemical Name:
1-(6-Nitro-1,3-benzodioxol-5-yl)piperidine
CAS Number:
893765-34-9
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
1-(6-nitro-1,3-benzodioxol-5-yl)piperidine
InChI:
InChI=1S/C12H14N2O4/c15-14(16)10-7-12-11(17-8-18-12)6-9(10)13-4-2-1-3-5-13/h6-7H,1-5,8H2
InChI Key:
UYXXFFMJBRYBKF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1N1CCCCC1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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