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Home > Pyridines > 136842-80-3
136842-80-3 | 5H-Pyrrolo[3,4-b]pyridin-5-one, 6,7-dihydro-6-(2-hydroxyethyl)-
CAS No: 136842-80-3 Catalog No: AG0012G4 MDL No:
Product Description
Catalog Number:
AG0012G4
Chemical Name:
5H-Pyrrolo[3,4-b]pyridin-5-one, 6,7-dihydro-6-(2-hydroxyethyl)-
CAS Number:
136842-80-3
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
6-(2-hydroxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
InChI:
InChI=1S/C9H10N2O2/c12-5-4-11-6-8-7(9(11)13)2-1-3-10-8/h1-3,12H,4-6H2
InChI Key:
JTHRNOWMFUAHJA-UHFFFAOYSA-N
SMILES:
OCCN1Cc2c(C1=O)cccn2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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