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1152506-58-5 | 1-tert-butyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CAS No: 1152506-58-5 Catalog No: AG01BFTV MDL No:MFCD11180124
Product Description
Catalog Number:
AG01BFTV
Chemical Name:
1-tert-butyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1152506-58-5
Molecular Formula:
C11H18N2O
Molecular Weight:
194.2734
MDL Number:
MFCD11180124
IUPAC Name:
1-tert-butyl-3-propan-2-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H18N2O/c1-8(2)10-9(7-14)6-13(12-10)11(3,4)5/h6-8H,1-5H3
InChI Key:
MPPCXNRZUVYJII-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C(C)C)C(C)(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.278g/mol
Monoisotopic Mass:
194.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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