Home Carboxys methyl 7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carboxylate

methyl 7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carboxylate

CAS No.:
1822620-12-1
Catalog Number:
AG01C034
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
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Product Description
Catalog Number:
AG01C034
Chemical Name:
methyl 7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carboxylate
CAS Number:
1822620-12-1
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD24849934
IUPAC Name:
methyl 7-oxo-5,6-dihydropyrrolo[3,4-b]pyridine-3-carboxylate
InChI:
InChI=1S/C9H8N2O3/c1-14-9(13)6-2-5-3-11-8(12)7(5)10-4-6/h2,4H,3H2,1H3,(H,11,12)
InChI Key:
NDZQERQVDIUZCU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)CNC2=O
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties