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Home > Aldehydes > 1190311-90-0
1190311-90-0 | 1H-Pyrrolo[2,3-b]pyridine-3,4-dicarboxaldehyde
CAS No: 1190311-90-0 Catalog No: AG000HI0 MDL No:
Product Description
Catalog Number:
AG000HI0
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3,4-dicarboxaldehyde
CAS Number:
1190311-90-0
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
IUPAC Name:
1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde
InChI:
InChI=1S/C9H6N2O2/c12-4-6-1-2-10-9-8(6)7(5-13)3-11-9/h1-5H,(H,10,11)
InChI Key:
JSVQERJAFBDBHS-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc2c1c(C=O)c[nH]2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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