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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2,3-dihydro-1,4-dioxine-5-carboxylate structure

CAS No:
452292-62-5
Formula:
C16H13N3O5
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
Synonyms:
ZINC3281332;Z18825537;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 5,6-dihydro-1,4-dioxine-2-carboxylate;452292-62-5

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Basic Attributes

Molecular Weight：

327.29 g/mol

Exact Mass：

327.08552052 g/mol

Characteristics

PSA：

118 Å²

Computed Properties

Molecular Weight:327.29
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:327.08552052
Monoisotopic Mass:327.08552052
Topological Polar Surface Area:118
Heavy Atom Count:24
Complexity:606
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Basic Attributes
Characteristics
Computed Properties
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