1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester
CAS Number: 5932-30-9
Product Number: AG00EC9W(AGN-PC-0OCVUW)
Synonyms:
MDL No:
Molecular Formula: C12H12N2O2
Molecular Weight: 216.2359

Identification/Properties


Computed Properties
Molecular Weight:
216.24g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
216.09g/mol
Monoisotopic Mass:
216.09g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
239
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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