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163521-17-3 | Piperazine, 1-(3,4-dihydro-2H-1-benzopyran-6-yl)-
CAS No: 163521-17-3 Catalog No: AG001U6Z MDL No:
Product Description
Catalog Number:
AG001U6Z
Chemical Name:
Piperazine, 1-(3,4-dihydro-2H-1-benzopyran-6-yl)-
CAS Number:
163521-17-3
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
1-(3,4-dihydro-2H-chromen-6-yl)piperazine
InChI:
InChI=1S/C13H18N2O/c1-2-11-10-12(3-4-13(11)16-9-1)15-7-5-14-6-8-15/h3-4,10,14H,1-2,5-9H2
InChI Key:
WVLFSMOGFARRCQ-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccc2c(c1)CCCO2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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