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Home > Aldehydes > 916235-17-1
916235-17-1 | 5-(1-METHYL-1H-PYRAZOL-4-YL)FURAN-2-CARBALDEHYDE
CAS No: 916235-17-1 Catalog No: AG01CA1Z MDL No:MFCD22410593
Product Description
Catalog Number:
AG01CA1Z
Chemical Name:
5-(1-METHYL-1H-PYRAZOL-4-YL)FURAN-2-CARBALDEHYDE
CAS Number:
916235-17-1
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD22410593
IUPAC Name:
5-(1-methylpyrazol-4-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C9H8N2O2/c1-11-5-7(4-10-11)9-3-2-8(6-12)13-9/h2-6H,1H3
InChI Key:
KNSVXXFTQTVXFN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1cnn(c1)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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