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Home > Nitro Compounds > 1206133-57-4
1206133-57-4 | 1-(2-Methyl-6-nitrophenyl)piperidin-2-one
CAS No: 1206133-57-4 Catalog No: AG00HFJ9 MDL No:MFCD13704907
Product Description
Catalog Number:
AG00HFJ9
Chemical Name:
1-(2-Methyl-6-nitrophenyl)piperidin-2-one
CAS Number:
1206133-57-4
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD13704907
IUPAC Name:
1-(2-methyl-6-nitrophenyl)piperidin-2-one
InChI:
InChI=1S/C12H14N2O3/c1-9-5-4-6-10(14(16)17)12(9)13-8-3-2-7-11(13)15/h4-6H,2-3,7-8H2,1H3
InChI Key:
OLXMOBCFXJNHRZ-UHFFFAOYSA-N
SMILES:
O=C1CCCCN1c1c(C)cccc1[N+](=O)[O-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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