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Home > Aldehydes > 1520227-46-6
1520227-46-6 | 1H-Pyrazole-5-carboxaldehyde, 1-methyl-3-(1-methylethyl)-
CAS No: 1520227-46-6 Catalog No: AG00AST4 MDL No:MFCD22398331
Product Description
Catalog Number:
AG00AST4
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1-methyl-3-(1-methylethyl)-
CAS Number:
1520227-46-6
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD22398331
IUPAC Name:
2-methyl-5-propan-2-ylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-6(2)8-4-7(5-11)10(3)9-8/h4-6H,1-3H3
InChI Key:
IJWYQMULIIWETC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nn1C)C(C)C
Properties
Complexity:
147
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:
1.2
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