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4664-00-0 | 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CAS No: 4664-00-0 Catalog No: AG003FL5 MDL No:MFCD00023018
Product Description
Catalog Number:
AG003FL5
Chemical Name:
5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CAS Number:
4664-00-0
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD00023018
IUPAC Name:
pyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C7H4N2O2/c10-6-4-2-1-3-8-5(4)7(11)9-6/h1-3H,(H,9,10,11)
InChI Key:
ZRKGTINFVOLLNT-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1nccc2
EC Number:
225-107-1
UNII:
EL02DAU9PG
NSC Number:
405554
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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