1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-carbaldehyde


Chemical Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-carbaldehyde
CAS Number: 955043-57-9
Product Number: AG00IJ5V(AGN-PC-0KHOSQ)
Synonyms:
MDL No: MFCD06655305
Molecular Formula: C10H14N2O3S
Molecular Weight: 242.2948

Identification/Properties


Computed Properties
Molecular Weight:
242.3g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
242.072513g/mol
Monoisotopic Mass:
242.072513g/mol
Topological Polar Surface Area:
77.4Ų
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
376
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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