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885273-58-5 | (3-(Benzo[d][1,3]dioxol-5-yl);isoxazol-5-yl);methanamine
CAS No: 885273-58-5 Catalog No: AG0046G0 MDL No:MFCD06738500
Product Description
Catalog Number:
AG0046G0
Chemical Name:
(3-(Benzo[d][1,3]dioxol-5-yl);isoxazol-5-yl);methanamine
CAS Number:
885273-58-5
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD06738500
IUPAC Name:
[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanamine
InChI:
InChI=1S/C11H10N2O3/c12-5-8-4-9(13-16-8)7-1-2-10-11(3-7)15-6-14-10/h1-4H,5-6,12H2
InChI Key:
PMQSXFKUYPGQGN-UHFFFAOYSA-N
SMILES:
NCc1onc(c1)c1ccc2c(c1)OCO2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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