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102071-90-9 | 1-Propanone, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-1-(1-pyrrolidinyl)-
CAS No: 102071-90-9 Catalog No: AG0006HZ MDL No:
Product Description
Catalog Number:
AG0006HZ
Chemical Name:
1-Propanone, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-1-(1-pyrrolidinyl)-
CAS Number:
102071-90-9
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
IUPAC Name:
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
InChI:
InChI=1S/C16H22N2O3/c19-16(18-9-3-4-10-18)7-8-17-11-13-12-20-14-5-1-2-6-15(14)21-13/h1-2,5-6,13,17H,3-4,7-12H2
InChI Key:
FLULXNXDMGDVCT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)CCNCC1COc2c(O1)cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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