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1272966-06-9 | Methanone, (2,3-dihydro-1,4-benzodioxin-2-yl)(3-hydroxy-1-pyrrolidinyl)-
CAS No: 1272966-06-9 Catalog No: AG000WW4 MDL No:MFCD17406685
Product Description
Catalog Number:
AG000WW4
Chemical Name:
Methanone, (2,3-dihydro-1,4-benzodioxin-2-yl)(3-hydroxy-1-pyrrolidinyl)-
CAS Number:
1272966-06-9
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD17406685
IUPAC Name:
2,3-dihydro-1,4-benzodioxin-3-yl-(3-hydroxypyrrolidin-1-yl)methanone
InChI:
InChI=1S/C13H15NO4/c15-9-5-6-14(7-9)13(16)12-8-17-10-3-1-2-4-11(10)18-12/h1-4,9,12,15H,5-8H2
InChI Key:
KKGLSUFGUMIMAC-UHFFFAOYSA-N
SMILES:
OC1CCN(C1)C(=O)C1COc2c(O1)cccc2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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