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Home > Aldehydes > 1269293-85-7
1269293-85-7 | 1H-Pyrazole-5-carboxaldehyde, 1-(4-pyridinyl)-
CAS No: 1269293-85-7 Catalog No: AG000WE6 MDL No:MFCD20275391
Product Description
Catalog Number:
AG000WE6
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1-(4-pyridinyl)-
CAS Number:
1269293-85-7
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
MDL Number:
MFCD20275391
IUPAC Name:
2-pyridin-4-ylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H7N3O/c13-7-9-3-6-11-12(9)8-1-4-10-5-2-8/h1-7H
InChI Key:
DSRIYUOMEQRVGT-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1c1ccncc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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