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Home > Aldehydes > 899709-49-0
899709-49-0 | 1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde
CAS No: 899709-49-0 Catalog No: AG01EYYD MDL No:
Product Description
Catalog Number:
AG01EYYD
Chemical Name:
1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
899709-49-0
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
IUPAC Name:
1-butyl-3-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H14N2O/c1-3-4-5-11-6-9(7-12)8(2)10-11/h6-7H,3-5H2,1-2H3
InChI Key:
LLKWRJLYBFSPEL-UHFFFAOYSA-N
SMILES:
CCCCn1cc(c(n1)C)C=O
Properties
Complexity:
150
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:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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