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(Z)-4-hydroxy-4-oxobut-2-enoate,1-(3-methoxybenzo[b][1]benzoxepin-5-yl)-4-methylpiperazin-4-ium

(Z)-4-hydroxy-4-oxobut-2-enoate,1-(3-methoxybenzo[b][1]benzoxepin-5-yl)-4-methylpiperazin-4-ium structure

CAS No:
24141-01-3
Formula:
C24H26N2O6
Chemical Name:
(Z)-4-hydroxy-4-oxobut-2-enoate,1-(3-methoxybenzo[b][1]benzoxepin-5-yl)-4-methylpiperazin-4-ium
Synonyms:
Piperazine,1-(8-methoxydibenz(b,f)oxepin-10-yl)-4-methyl-,maleate (1:1); Piperazine,1-(8-methoxy-10-dibenzo(b,f)oxepinyl)-4-methyl-,maleate; Piperazine,1-(8-methoxydibenz(b,f)oxepin-10-yl)-4-methyl-,(Z)-2-butenedioate (1:1) (9CI); Piperazine,1-(8-methoxydibenz(b,f)oxepin-10-yl)-4-methyl-,(Z)-2-butenedioate (1:1);

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(Z)-4-hydroxy-4-oxobut-2-enoate,1-(3-methoxybenzo[b][1]benzoxepin-5-yl)-4-methylpiperazin-4-ium Basic Attributes

Molecular Weight：

438.47300

Exact Mass：

438.17908655

Characteristics

PSA：

99.54000

XLogP3：

3.13400

Boiling Point：

485.4ºC

Flash Point：

143.5ºC

Vapor Pressure：

1.42E-09mmHg at 25°C

Computed Properties

Molecular Weight:438.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:438.17908655
Monoisotopic Mass:438.17908655
Topological Polar Surface Area:99.5
Heavy Atom Count:32
Complexity:578
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of (Z)-4-hydroxy-4-oxobut-2-enoate,1-(3-methoxybenzo[b][1]benzoxepin-5-yl)-4-methylpiperazin-4-ium

Basic Attributes
Characteristics
Computed Properties

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