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Home > Aldehydes > 1190314-48-7
1190314-48-7 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-methoxy-
CAS No: 1190314-48-7 Catalog No: AG000HMF MDL No:MFCD12962705
Product Description
Catalog Number:
AG000HMF
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-methoxy-
CAS Number:
1190314-48-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD12962705
IUPAC Name:
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O2/c1-13-7-2-3-10-9-8(7)6(5-12)4-11-9/h2-5H,1H3,(H,10,11)
InChI Key:
GLFKFDQZTQWFIB-UHFFFAOYSA-N
SMILES:
COc1ccnc2c1c(C=O)c[nH]2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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