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Home > Aldehydes > 1006333-32-9
1006333-32-9 | 1H-Pyrazole-4-carboxaldehyde, 1-(2-methylpropyl)-
CAS No: 1006333-32-9 Catalog No: AG0002ID MDL No:MFCD08559037
Product Description
Catalog Number:
AG0002ID
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-(2-methylpropyl)-
CAS Number:
1006333-32-9
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD08559037
IUPAC Name:
1-(2-methylpropyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-7(2)4-10-5-8(6-11)3-9-10/h3,5-7H,4H2,1-2H3
InChI Key:
HOPKSBAEUKMTHH-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)CC(C)C
Properties
Complexity:
136
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:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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