2-cyano-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)-1H-pyrrol-3-yl]prop-2-enoic acid


Chemical Name: 2-cyano-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)-1H-pyrrol-3-yl]prop-2-enoic acid
CAS Number: 732291-32-6
Product Number: AG019IO3(AG019IO3)
Synonyms:
MDL No:
Molecular Formula: C15H18N2O3
Molecular Weight: 274.3150

Identification/Properties


Computed Properties
Molecular Weight:
274.32g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
274.132g/mol
Monoisotopic Mass:
274.132g/mol
Topological Polar Surface Area:
75.2A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
451
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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