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Home > Aldehydes > 1167055-47-1
1167055-47-1 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxaldehyde, 7-methyl-
CAS No: 1167055-47-1 Catalog No: AG000D13 MDL No:
Product Description
Catalog Number:
AG000D13
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxaldehyde, 7-methyl-
CAS Number:
1167055-47-1
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
7-methyl-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O/c1-6-9-8(2-3-10-6)7(5-12)4-11-9/h2-5,11H,1H3
InChI Key:
STEZYBAYTZXURM-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1ccnc2C
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:
0.8
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