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Home > Nitro Compounds > 761440-64-6
761440-64-6 | 1-(3-Methoxy-4-nitrophenyl)piperidin-4-one
CAS No: 761440-64-6 Catalog No: AG00GAK6 MDL No:MFCD09972250
Product Description
Catalog Number:
AG00GAK6
Chemical Name:
1-(3-Methoxy-4-nitrophenyl)piperidin-4-one
CAS Number:
761440-64-6
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD09972250
IUPAC Name:
1-(3-methoxy-4-nitrophenyl)piperidin-4-one
InChI:
InChI=1S/C12H14N2O4/c1-18-12-8-9(2-3-11(12)14(16)17)13-6-4-10(15)5-7-13/h2-3,8H,4-7H2,1H3
InChI Key:
VWVGKNTWOBCSTI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC(=O)CC1
Properties
Complexity:
319
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:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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