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Home > Aldehydes > 1190321-17-5
1190321-17-5 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-methyl-
CAS No: 1190321-17-5 Catalog No: AG000HZ4 MDL No:MFCD12962781
Product Description
Catalog Number:
AG000HZ4
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-methyl-
CAS Number:
1190321-17-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD12962781
IUPAC Name:
5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O/c1-6-2-8-7(5-12)4-11-9(8)10-3-6/h2-5H,1H3,(H,10,11)
InChI Key:
AWKPQZFWCIMWEH-UHFFFAOYSA-N
SMILES:
Cc1cc2c(C=O)c[nH]c2nc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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