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Home > Aldehydes > 1308436-29-4
1308436-29-4 | 1-butyl-3-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde
CAS No: 1308436-29-4 Catalog No: AG01C26C MDL No:MFCD13327678
Product Description
Catalog Number:
AG01C26C
Chemical Name:
1-butyl-3-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1308436-29-4
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD13327678
IUPAC Name:
1-butyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C13H15N3O/c1-2-3-8-16-9-11(10-17)13(15-16)12-6-4-5-7-14-12/h4-7,9-10H,2-3,8H2,1H3
InChI Key:
ZGHCMMAUJAPIRC-UHFFFAOYSA-N
SMILES:
CCCCn1cc(c(n1)c1ccccn1)C=O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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