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83988-29-8 | 4H-Pyrrolo[3,4-d]isoxazole-4,6(5H)-dione,3-methyl-(9CI)
CAS No: 83988-29-8 Catalog No: AG00GED5 MDL No:
Product Description
Catalog Number:
AG00GED5
Chemical Name:
4H-Pyrrolo[3,4-d]isoxazole-4,6(5H)-dione,3-methyl-(9CI)
CAS Number:
83988-29-8
IUPAC Name:
3-methylpyrrolo[3,4-d][1,2]oxazole-4,6-dione
InChI:
InChI=1S/C6H4N2O3/c1-2-3-4(11-8-2)6(10)7-5(3)9/h1H3,(H,7,9,10)
InChI Key:
CTIWCJADLZEOSM-UHFFFAOYSA-N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.022g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.109g/mol
Monoisotopic Mass:
152.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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