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3612-16-6 | 1-Ethyl-3-methylpiperidin-4-one
CAS No: 3612-16-6 Catalog No: AG003EB3 MDL No:MFCD01318144
Product Description
Catalog Number:
AG003EB3
Chemical Name:
1-Ethyl-3-methylpiperidin-4-one
CAS Number:
3612-16-6
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
MDL Number:
MFCD01318144
IUPAC Name:
1-ethyl-3-methylpiperidin-4-one
InChI:
InChI=1S/C8H15NO/c1-3-9-5-4-8(10)7(2)6-9/h7H,3-6H2,1-2H3
InChI Key:
DZPMPRBBBQMILW-UHFFFAOYSA-N
SMILES:
CCN1CCC(=O)C(C1)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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