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23245-25-2 | Piperazine, 1-phenyl-, benzoate (1:1)
CAS No: 23245-25-2 Catalog No: AG002MNI MDL No:
Product Description
Catalog Number:
AG002MNI
Chemical Name:
Piperazine, 1-phenyl-, benzoate (1:1)
CAS Number:
23245-25-2
Molecular Formula:
C17H20N2O2
Molecular Weight:
284.3529
IUPAC Name:
benzoic acid;1-phenylpiperazine
InChI:
InChI=1S/C10H14N2.C7H6O2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;8-7(9)6-4-2-1-3-5-6/h1-5,11H,6-9H2;1-5H,(H,8,9)
InChI Key:
QIEWJCLJHZVHBD-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccccc1.OC(=O)c1ccccc1
NSC Number:
86805
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.359g/mol
Monoisotopic Mass:
284.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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