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Quinolinimide

CAT: 0572-TRC-Q711500-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-Q711500-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4664-00-0
Hazard Statement
No Data Available
Smiles
O=C1NC(=O)c2ncccc12
Molecular Formula
C7 H4 N2 O2
Molecular Weight
148.12
InChI
InChI=1S/C7H4N2O2/c10-6-4-2-1-3-8-5(4)7(11)9-6/h1-3H,(H,9,10,11)
Additionnal Information
IUPAC name: pyrrolo[3,4-b]pyridine-5,7-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione

structure in first source

CAS Number4664-00-0
PubChem CID72829
IUPAC Namepyrrolo[3,4-b]pyridine-5,7-dione
Molecular FormulaC7H4N2O2
Molecular Weight148.12
XLogP0
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity214
SMILES
C1=CC2=C(C(=O)NC2=O)N=C1
InChI
InChI=1S/C7H4N2O2/c10-6-4-2-1-3-8-5(4)7(11)9-6/h1-3H,(H,9,10,11)
InChIKey
ZRKGTINFVOLLNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione
CAS: 4664-00-0
CID: 72829
Formula: C7H4N2O2
MW: 148.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.12
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass148.027277375
Monoisotopic Mass148.027277375
Topological Polar Surface Area59.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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