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2644-93-1 | 1H-Pyrazole-4-carboxaldehyde, 1,3,5-trimethyl-
CAS No: 2644-93-1 Catalog No: AG002T8D MDL No:MFCD00159623
Product Description
Catalog Number:
AG002T8D
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1,3,5-trimethyl-
CAS Number:
2644-93-1
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD00159623
IUPAC Name:
1,3,5-trimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3
InChI Key:
HMTUBXVXHHITGO-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1C)C
Properties
Complexity:
138
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:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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