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Home > Aldehydes > 886851-66-7
886851-66-7 | 1H-Pyrazole-4-carboxaldehyde,3-amino-1-methyl-
CAS No: 886851-66-7 Catalog No: AG0089M2 MDL No:MFCD00460466
Product Description
Catalog Number:
AG0089M2
Chemical Name:
1H-Pyrazole-4-carboxaldehyde,3-amino-1-methyl-
CAS Number:
886851-66-7
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD00460466
IUPAC Name:
3-amino-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C5H7N3O/c1-8-2-4(3-9)5(6)7-8/h2-3H,1H3,(H2,6,7)
InChI Key:
UGWUYEXHMDPAMR-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1N)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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