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Home > Aldehydes > 1152541-94-0
1152541-94-0 | 3-Pyridin-4-yl-1H-pyrazole-4-carbaldehyde
CAS No: 1152541-94-0 Catalog No: AG01FBGT MDL No:
Product Description
Catalog Number:
AG01FBGT
Chemical Name:
3-Pyridin-4-yl-1H-pyrazole-4-carbaldehyde
CAS Number:
1152541-94-0
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
IUPAC Name:
5-pyridin-4-yl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H7N3O/c13-6-8-5-11-12-9(8)7-1-3-10-4-2-7/h1-6H,(H,11,12)
InChI Key:
ASLOUQXKVUKLNX-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccncc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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