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86871-67-2 | oxalic acid; 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
CAS No: 86871-67-2 Catalog No: AG004LWH MDL No:
Product Description
Catalog Number:
AG004LWH
Chemical Name:
oxalic acid; 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
CAS Number:
86871-67-2
Molecular Formula:
C19H25N3O5
Molecular Weight:
375.4189
IUPAC Name:
oxalic acid;1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
InChI:
InChI=1S/C17H23N3O.C2H2O4/c1-3-8-15(9-4-1)16-14-17(19-18-16)21-13-7-12-20-10-5-2-6-11-20;3-1(4)2(5)6/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,18,19);(H,3,4)(H,5,6)
InChI Key:
RSNWFMXVQBLRQY-UHFFFAOYSA-N
SMILES:
C(CN1CCCCC1)COc1cc([nH]n1)c1ccccc1.OC(=O)C(=O)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.179g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
375.425g/mol
Monoisotopic Mass:
375.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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