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Home > Aldehydes > 127949-06-8
127949-06-8 | 1H-Pyrazole-4-carboxaldehyde, 1-(1,1-dimethylethyl)-
CAS No: 127949-06-8 Catalog No: AG000XL8 MDL No:MFCD09939615
Product Description
Catalog Number:
AG000XL8
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-(1,1-dimethylethyl)-
CAS Number:
127949-06-8
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD09939615
IUPAC Name:
1-tert-butylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-8(2,3)10-5-7(6-11)4-9-10/h4-6H,1-3H3
InChI Key:
KXRJDLZPCNTHJN-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)C(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:
0.6
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