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Propanedioic acid, 2-(2-cyclopenten-1-yl)-, 1,3-diethyl ester

Propanedioic acid, 2-(2-cyclopenten-1-yl)-, 1,3-diethyl ester structure

CAS No:
53608-93-8
Formula:
C12H18O4
Chemical Name:
Propanedioic acid, 2-(2-cyclopenten-1-yl)-, 1,3-diethyl ester
Synonyms:
Propanedioic acid,2-(2-cyclopenten-1-yl)-,1,3-diethyl ester;Propanedioic acid,2-cyclopenten-1-yl-,diethyl ester;NSC 59851;1,3-Diethyl 2-(cyclopent-2-en-1-yl)propanedioate;2-Cyclopent-2-Enyl-Malonic Acid Diethyl Ester;76337-96-7

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Propanedioic acid, 2-(2-cyclopenten-1-yl)-, 1,3-diethyl ester Basic Attributes

Molecular Weight：

226.27

Exact Mass：

226.27

EC Number：

258-661-8

NSC Number：

59851

Characteristics

PSA：

52.6 Å²

Density：

1.048 g/cm³ @ Temp: 20.3 °C

Melting Point：

28-29 °C

Boiling Point：

141 °C @ Press: 16 Torr

Refractive Index：

1.4536 (estimate)

Safety Information

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:226.27
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:226.12050905
Monoisotopic Mass:226.12050905
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:265
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanedioic acid, 2-(2-cyclopenten-1-yl)-, 1,3-diethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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