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7031-63-2 | Piperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-
CAS No: 7031-63-2 Catalog No: AG005JVT MDL No:
Product Description
Catalog Number:
AG005JVT
Chemical Name:
Piperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-
CAS Number:
7031-63-2
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine
InChI:
InChI=1S/C13H18N2O2/c1-2-4-13-12(3-1)16-10-11(17-13)9-15-7-5-14-6-8-15/h1-4,11,14H,5-10H2
InChI Key:
SBJSQEJGEUKPSG-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)CC1COc2c(O1)cccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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