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57411-70-8 | 5-amino-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 57411-70-8 Catalog No: AG01BAJX MDL No:MFCD19204993
Product Description
Catalog Number:
AG01BAJX
Chemical Name:
5-amino-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
57411-70-8
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD19204993
IUPAC Name:
5-amino-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H9N3O/c1-4-5(3-10)6(7)9(2)8-4/h3H,7H2,1-2H3
InChI Key:
LMWISGVUHHTGQH-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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