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Home > Nitro Compounds > 59507-46-9
59507-46-9 | Piperidine, 1-[(3-nitrophenyl)methyl]-
CAS No: 59507-46-9 Catalog No: AG00IAKB MDL No:MFCD27926048
Product Description
Catalog Number:
AG00IAKB
Chemical Name:
Piperidine, 1-[(3-nitrophenyl)methyl]-
CAS Number:
59507-46-9
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD27926048
IUPAC Name:
1-[(3-nitrophenyl)methyl]piperidine
InChI:
InChI=1S/C12H16N2O2/c15-14(16)12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,10H2
InChI Key:
LRYVKFIOQOXESJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CN1CCCCC1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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