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885319-49-3

885319-49-3 structural image
Product Name: 3-ETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Formula: C8H12N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 168.19 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 168.089877630 g/mol
Monoisotopic Mass 168.089877630 g/mol
Topological Polar Surface Area 55 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 161
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