methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate


Chemical Name: methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
CAS Number: 10077-96-0
Product Number: AG0002UL(AGN-PC-0JMYKL)
Synonyms:
MDL No:
Molecular Formula: C13H15N3O3
Molecular Weight: 261.2765

Identification/Properties


Computed Properties
Molecular Weight:
261.281g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
261.111g/mol
Monoisotopic Mass:
261.111g/mol
Topological Polar Surface Area:
61.9A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
413
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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