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87842-81-7 | 3H-Oxazolo[3,4-a]pyridin-3-one, 1,7,8,8a-tetrahydro-
CAS No: 87842-81-7 Catalog No: AG004ELJ MDL No:
Product Description
Catalog Number:
AG004ELJ
Chemical Name:
3H-Oxazolo[3,4-a]pyridin-3-one, 1,7,8,8a-tetrahydro-
CAS Number:
87842-81-7
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
InChI:
InChI=1S/C7H9NO2/c9-7-8-4-2-1-3-6(8)5-10-7/h2,4,6H,1,3,5H2
InChI Key:
XUHIOFZVXGYEAK-UHFFFAOYSA-N
SMILES:
O=C1OCC2N1C=CCC2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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