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1105191-90-9 | [5-(1,3-DIOXAINDAN-5-YL)ISOXAZOL-3-YL]ACETONITRILE
CAS No: 1105191-90-9 Catalog No: AG01ARQ0 MDL No:MFCD11986439
Product Description
Catalog Number:
AG01ARQ0
Chemical Name:
[5-(1,3-DIOXAINDAN-5-YL)ISOXAZOL-3-YL]ACETONITRILE
CAS Number:
1105191-90-9
MDL Number:
MFCD11986439
IUPAC Name:
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]acetonitrile
InChI:
InChI=1S/C12H8N2O3/c13-4-3-9-6-11(17-14-9)8-1-2-10-12(5-8)16-7-15-10/h1-2,5-6H,3,7H2
InChI Key:
QACRJTGBJZYMHW-UHFFFAOYSA-N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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