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(E)-3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile

(E)-3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile structure

CAS No:
454201-12-8
Formula:
C14H14N2O3
Chemical Name:
(E)-3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
Synonyms:
(2E)-3-(3,4-dihydroxyphenyl)-2-(pyrrolidin-1-ylcarbonyl)prop-2-enenitrile;MLS000775910;CHEMBL1469976;SCHEMBL18292294;HMS2698N14;ZINC1421053;STK285305;(E)-3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile;AKOS000415564;MCULE-6546590346;SMR000371038;(2E)-3-(3,4-dihydroxyphenyl)-2-(pyrrolidin-1-ylcarbonyl)acrylonitrile;454201-12-8

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(E)-3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Basic Attributes

Molecular Weight：

258.27 g/mol

Exact Mass：

258.10044231 g/mol

Characteristics

PSA：

84.6 Å²

Water Solubility：

37.3 [ug/mL]

Computed Properties

Molecular Weight:258.27
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:258.10044231
Monoisotopic Mass:258.10044231
Topological Polar Surface Area:84.6
Heavy Atom Count:19
Complexity:418
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (E)-3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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