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Home > Aldehydes > 188554-13-4
188554-13-4 | 4-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-
CAS No: 188554-13-4 Catalog No: AG002GYU MDL No:MFCD03788455
Product Description
Catalog Number:
AG002GYU
Chemical Name:
4-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-
CAS Number:
188554-13-4
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD03788455
IUPAC Name:
2-oxo-1H-pyridine-4-carbaldehyde
InChI:
InChI=1S/C6H5NO2/c8-4-5-1-2-7-6(9)3-5/h1-4H,(H,7,9)
InChI Key:
IDDXMCNSHNXTRS-UHFFFAOYSA-N
SMILES:
O=Cc1cc[nH]c(=O)c1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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