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1000341-31-0 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, 4-methoxy-
CAS No: 1000341-31-0 Catalog No: AG0000GW MDL No:
Product Description
Catalog Number:
AG0000GW
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, 4-methoxy-
CAS Number:
1000341-31-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O2/c1-13-9-8-6(5-12)4-11-7(8)2-3-10-9/h2-5,11H,1H3
InChI Key:
FYWALQVURBDJKB-UHFFFAOYSA-N
SMILES:
COc1nccc2c1c(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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