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70918-00-2 | (2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone
CAS No: 70918-00-2 Catalog No: AG003BKM MDL No:MFCD01837119
Product Description
Catalog Number:
AG003BKM
Chemical Name:
(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone
CAS Number:
70918-00-2
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD01837119
IUPAC Name:
2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone
InChI:
InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2
InChI Key:
FLUPDJNTYCSBJZ-UHFFFAOYSA-N
SMILES:
O=C(C1COc2c(O1)cccc2)N1CCNCC1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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