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139290-73-6 | Methanone, (2,3-dimethoxyphenyl)-4-piperidinyl-, 2,2,2-trifluoroacetate (1:1)
CAS No: 139290-73-6 Catalog No: AG001AOZ MDL No:
Product Description
Catalog Number:
AG001AOZ
Chemical Name:
Methanone, (2,3-dimethoxyphenyl)-4-piperidinyl-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
139290-73-6
Molecular Formula:
C16H20F3NO5
Molecular Weight:
363.3289
IUPAC Name:
(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C14H19NO3.C2HF3O2/c1-17-12-5-3-4-11(14(12)18-2)13(16)10-6-8-15-9-7-10;3-2(4,5)1(6)7/h3-5,10,15H,6-9H2,1-2H3;(H,6,7)
InChI Key:
NYTCADZFPZZWEW-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COc1c(OC)cccc1C(=O)C1CCNCC1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.129g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.333g/mol
Monoisotopic Mass:
363.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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