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4-[(1-Methyl-4(1H)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one

4-[(1-Methyl-4(1H)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one structure

CAS No:
23302-83-2
Formula:
C14H13NO
Chemical Name:
4-[(1-Methyl-4(1H)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one
Synonyms:
2,5-Cyclohexadien-1-one,4-[2-(1-methyl-4(1H)-pyridinylidene)ethylidene]-;2,5-Cyclohexadien-1-one,4-[(1-methyl-4(1H)-pyridylidene)ethylidene]-;2,5-Cyclohexadien-1-one,4-[(1-methyl-4(1H)-pyridinylidene)ethylidene]-;4-[2-(1-Methyl-4(1H)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one;4-[(1-Methyl-4(1H)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one;MOED;4′-Hydroxy-1-methylstilbazolium betaine;Brooker's merocyanine;NSC 87344;31054-23-6

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4-[(1-Methyl-4(1H)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one Basic Attributes

Molecular Weight：

211.25900

Exact Mass：

211.26

UNII：

K765RJZ7AS

NSC Number：

87344

DSSTox ID：

DTXSID70293129

Characteristics

PSA：

22.00000

XLogP3：

1.70820

Density：

1.268g/cm3

Melting Point：

228 - 230 °C (propan-2-ol)

Boiling Point：

360.6ºC at 760mmHg

Flash Point：

141.5ºC

Refractive Index：

1.752

Vapor Pressure：

2.19E-05mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:211.26
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:211.099714038
Monoisotopic Mass:211.099714038
Topological Polar Surface Area:20.3
Heavy Atom Count:16
Complexity:439
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE

123333-69-7

Hot Searches: etoac; 40000/20; linea semilunaris; bro2; ethanol safety data sheet; bioglutide

Guide of 4-[(1-Methyl-4(1H)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one

Basic Attributes
Characteristics
Safety Information
Computed Properties
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