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Home > Aldehydes > 1190317-04-4
1190317-04-4 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-hydroxy-4-methyl-
CAS No: 1190317-04-4 Catalog No: AG000HQQ MDL No:MFCD12962773
Product Description
Catalog Number:
AG000HQQ
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-hydroxy-4-methyl-
CAS Number:
1190317-04-4
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD12962773
IUPAC Name:
5-hydroxy-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O2/c1-5-7(13)3-11-9-8(5)6(4-12)2-10-9/h2-4,13H,1H3,(H,10,11)
InChI Key:
BROODWZMMHKVDA-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(C)c(cn2)O
Properties
Complexity:
210
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:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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