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Home > Aldehydes > 1204355-58-7
1204355-58-7 | 1-tert-butyl-1H-pyrazole-5-carbaldehyde
CAS No: 1204355-58-7 Catalog No: AG0099SJ MDL No:MFCD00103498
Product Description
Catalog Number:
AG0099SJ
Chemical Name:
1-tert-butyl-1H-pyrazole-5-carbaldehyde
CAS Number:
1204355-58-7
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD00103498
IUPAC Name:
2-tert-butylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-8(2,3)10-7(6-11)4-5-9-10/h4-6H,1-3H3
InChI Key:
FNXSFOWYPJWBRA-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1C(C)(C)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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