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Home > Aldehydes > 100305-93-9
100305-93-9 | 1H-Pyrazole-5-carboxaldehyde, 1-(1-methylethyl)-
CAS No: 100305-93-9 Catalog No: AG0001KF MDL No:MFCD03130042
Product Description
Catalog Number:
AG0001KF
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1-(1-methylethyl)-
CAS Number:
100305-93-9
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD03130042
IUPAC Name:
2-propan-2-ylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C7H10N2O/c1-6(2)9-7(5-10)3-4-8-9/h3-6H,1-2H3
InChI Key:
JGQABCBGCJORGR-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1C(C)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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