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566155-33-7 | 6H-Pyrrolo[3,4-c]isoxazol-6-one,hexahydro-5,6a-dimethyl-,(3aR,6aR)-rel-
CAS No: 566155-33-7 Catalog No: AG00EY3H MDL No:
Product Description
Catalog Number:
AG00EY3H
Chemical Name:
6H-Pyrrolo[3,4-c]isoxazol-6-one,hexahydro-5,6a-dimethyl-,(3aR,6aR)-rel-
CAS Number:
566155-33-7
IUPAC Name:
(3aR,6aR)-5,6a-dimethyl-1,3,3a,4-tetrahydropyrrolo[3,4-c][1,2]oxazol-6-one
InChI:
InChI=1S/C7H12N2O2/c1-7-5(4-11-8-7)3-9(2)6(7)10/h5,8H,3-4H2,1-2H3/t5-,7+/m0/s1
InChI Key:
HYSVNJRYIAUNLR-CAHLUQPWSA-N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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