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Home > Aldehydes > 142246-47-7
142246-47-7 | 3,5-DIMETHYL-1-PROPYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 142246-47-7 Catalog No: AG009BBA MDL No:MFCD07391243
Product Description
Catalog Number:
AG009BBA
Chemical Name:
3,5-DIMETHYL-1-PROPYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
142246-47-7
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD07391243
IUPAC Name:
3,5-dimethyl-1-propylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H14N2O/c1-4-5-11-8(3)9(6-12)7(2)10-11/h6H,4-5H2,1-3H3
InChI Key:
YPNOCSHNEXPNTH-UHFFFAOYSA-N
SMILES:
CCCn1nc(c(c1C)C=O)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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