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Home > Aldehydes > 1172893-08-1
1172893-08-1 | 1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-(1-methylpropyl)-
CAS No: 1172893-08-1 Catalog No: AG000E19 MDL No:
Product Description
Catalog Number:
AG000E19
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-(1-methylpropyl)-
CAS Number:
1172893-08-1
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
IUPAC Name:
3-butan-2-yl-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H14N2O/c1-4-7(2)9-8(6-12)5-11(3)10-9/h5-7H,4H2,1-3H3
InChI Key:
MKPPTYOCWYNALE-UHFFFAOYSA-N
SMILES:
CCC(c1nn(cc1C=O)C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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