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857650-84-1 | 1-Piperidinebutanoic acid, 4-(hydroxymethyl)-, 2,2,2-trichloroethyl ester
CAS No: 857650-84-1 Catalog No: AG004OVC MDL No:
Product Description
Catalog Number:
AG004OVC
Chemical Name:
1-Piperidinebutanoic acid, 4-(hydroxymethyl)-, 2,2,2-trichloroethyl ester
CAS Number:
857650-84-1
Molecular Formula:
C12H20Cl3NO3
Molecular Weight:
332.6511
IUPAC Name:
2,2,2-trichloroethyl 4-[4-(hydroxymethyl)piperidin-1-yl]butanoate
InChI:
InChI=1S/C12H20Cl3NO3/c13-12(14,15)9-19-11(18)2-1-5-16-6-3-10(8-17)4-7-16/h10,17H,1-9H2
InChI Key:
YDNRLQXTOKRVQZ-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)CCCC(=O)OCC(Cl)(Cl)Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.646g/mol
Monoisotopic Mass:
331.051g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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