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Acetic acid, 2-cyano-, hexyl ester

Acetic acid, 2-cyano-, hexyl ester structure

CAS No:
13361-53-0
Formula:
C9H15NO2
Chemical Name:
Acetic acid, 2-cyano-, hexyl ester
Synonyms:
Acetic acid,2-cyano-,hexyl ester;Acetic acid,cyano-,hexyl ester;Hexyl cyanoacetate;Cyanoacetic acid hexyl ester

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Acetic acid, 2-cyano-, hexyl ester Basic Attributes

Molecular Weight：

169.22 g/mol

Exact Mass：

169.22

EC Number：

236-426-0

UNII：

MQD7W48M8Y

DSSTox ID：

DTXSID30158200

Characteristics

PSA：

50.1 Å²

Density：

0.9686 g/cm³ @ Temp: 20 °C

Boiling Point：

132 °C @ Press: 16 Torr

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:169.22
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:169.110278721
Monoisotopic Mass:169.110278721
Topological Polar Surface Area:50.1
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Acetic acid, 2-cyano-, hexyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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