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dimethyl cubane-1,4-dicarboxylate

dimethyl cubane-1,4-dicarboxylate structure

CAS No:
29412-62-2
Formula:
C12H12O4
Chemical Name:
dimethyl cubane-1,4-dicarboxylate
Synonyms:
BM440; Dimethyl 1,4-cubanedicarboxylate; 1,4-cubanedicarboxylic acid dimethyl ester; Cubane-1,4-dicarboylic acid dimethyl ester; 1,4-dicarbomethoxycubane;
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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dimethyl cubane-1,4-dicarboxylate Basic Attributes

Molecular Weight：

220.22100

Exact Mass：

220.07355886 g/mol

NSC Number：

124104

DSSTox ID：

DTXSID50183630

Characteristics

PSA：

52.60000

XLogP3：

0.07040

Density：

1.684g/cm3

Melting Point：

163-165ºC

Boiling Point：

270ºC

Flash Point：

131.3ºC

Refractive Index：

1.704

Vapor Pressure：

0.00702mmHg at 25°C

Safety Information

safety instructions：

S22; S24/25

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:220.22
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:220.07355886
Monoisotopic Mass:220.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:382
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 29412-62-2

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Characteristics
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