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Home > Aldehydes > 876728-40-4
876728-40-4 | 1H-Pyrazole-3-carboxaldehyde,5-(2-furanyl)-1-methyl-
CAS No: 876728-40-4 Catalog No: AG004NZY MDL No:MFCD08271947
Product Description
Catalog Number:
AG004NZY
Chemical Name:
1H-Pyrazole-3-carboxaldehyde,5-(2-furanyl)-1-methyl-
CAS Number:
876728-40-4
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD08271947
IUPAC Name:
5-(furan-2-yl)-1-methylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O2/c1-11-8(5-7(6-12)10-11)9-3-2-4-13-9/h2-6H,1H3
InChI Key:
KKYBQGWJSPHUED-UHFFFAOYSA-N
SMILES:
O=Cc1nn(c(c1)c1ccco1)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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