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1121-60-4 | 2-Pyridinecarboxaldehyde
CAS No: 1121-60-4 Catalog No: AG0033FQ MDL No:MFCD00006290
Product Description
Catalog Number:
AG0033FQ
Chemical Name:
2-Pyridinecarboxaldehyde
CAS Number:
1121-60-4
Molecular Formula:
C6H5NO
Molecular Weight:
107.1100
MDL Number:
MFCD00006290
IUPAC Name:
pyridine-2-carbaldehyde
InChI:
InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
InChI Key:
CSDSSGBPEUDDEE-UHFFFAOYSA-N
SMILES:
O=Cc1ccccn1
EC Number:
214-333-6
NSC Number:
8951
Properties
Complexity:
82.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.112g/mol
Monoisotopic Mass:
107.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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