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247061-94-5 | Benzoic acid, 2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-
CAS No: 247061-94-5 Catalog No: AG002P3W MDL No:
Product Description
Catalog Number:
AG002P3W
Chemical Name:
Benzoic acid, 2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-
CAS Number:
247061-94-5
Molecular Formula:
C19H22N2O2
Molecular Weight:
310.3902
IUPAC Name:
2-[(4-benzylpiperazin-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C19H22N2O2/c22-19(23)18-9-5-4-8-17(18)15-21-12-10-20(11-13-21)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,23)
InChI Key:
VSKVFEGRVCGZQZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.397g/mol
Monoisotopic Mass:
310.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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