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Home > Aldehydes > 1152502-99-2
1152502-99-2 | 1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CAS No: 1152502-99-2 Catalog No: AG019UYV MDL No:MFCD11103096
Product Description
Catalog Number:
AG019UYV
Chemical Name:
1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1152502-99-2
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD11103096
IUPAC Name:
1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-6(2)8-7(5-11)4-10(3)9-8/h4-6H,1-3H3
InChI Key:
KQWIBEKKNWQHJU-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C(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:
0.9
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