Home Aminos 2-amino-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione trifluoroacetate

2-amino-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione trifluoroacetate

CAS No.:
1909325-33-2
Catalog Number:
AG01C3BU
Molecular Formula:
C9H6F3N3O4
Molecular Weight:
277.1568
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Product Description
Catalog Number:
AG01C3BU
Chemical Name:
2-amino-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione trifluoroacetate
CAS Number:
1909325-33-2
Molecular Formula:
C9H6F3N3O4
Molecular Weight:
277.1568
MDL Number:
MFCD29060397
IUPAC Name:
2-aminopyrrolo[3,4-c]pyridine-1,3-dione;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H5N3O2.C2HF3O2/c8-10-6(11)4-1-2-9-3-5(4)7(10)12;3-2(4,5)1(6)7/h1-3H,8H2;(H,6,7)
InChI Key:
VBPZSCMEJXVMFB-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.O=C1c2cnccc2C(=O)N1N
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.031g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.159g/mol
Monoisotopic Mass:
277.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties