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113932-52-8 | Isoxazolo[4,5-c]pyridin-3(2H)-one, hexahydro-2-methyl-
CAS No: 113932-52-8 Catalog No: AG000A2T MDL No:
Product Description
Catalog Number:
AG000A2T
Chemical Name:
Isoxazolo[4,5-c]pyridin-3(2H)-one, hexahydro-2-methyl-
CAS Number:
113932-52-8
Molecular Formula:
C7H12N2O2
Molecular Weight:
156.1824
IUPAC Name:
2-methyl-3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[4,5-c]pyridin-3-one
InChI:
InChI=1S/C7H12N2O2/c1-9-7(10)5-4-8-3-2-6(5)11-9/h5-6,8H,2-4H2,1H3
InChI Key:
VFTAIABMMRKECY-UHFFFAOYSA-N
SMILES:
O=C1N(C)OC2C1CNCC2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.185g/mol
Monoisotopic Mass:
156.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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