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Propanoic acid, 3-cyano-, ethyl ester

Propanoic acid, 3-cyano-, ethyl ester structure

CAS No:
10137-67-4
Formula:
C6H9NO2
Chemical Name:
Propanoic acid, 3-cyano-, ethyl ester
Synonyms:
Propanoic acid,3-cyano-,ethyl ester;Propionic acid,3-cyano-,ethyl ester;3-Cyanopropionic acid,ethyl ester;Ethyl 3-cyanopropanoate;Ethyl 3-cyanopropionate;NSC 94973;3-Cyanopropanoic acid ethyl ester

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Propanoic acid, 3-cyano-, ethyl ester Basic Attributes

Molecular Weight：

127.14100

Exact Mass：

127.14

UNII：

Q745927X6R

NSC Number：

94973

DSSTox ID：

DTXSID10143876

HScode：

2926909090

Characteristics

PSA：

50.09000

XLogP3：

0.85328

Density：

1.021g/cm3

Boiling Point：

114-115 °C @ Press: 18 Torr

Flash Point：

93.6ºC

Refractive Index：

1.42

Vapor Pressure：

0.113mmHg 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+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:127.14
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:127.063328530
Monoisotopic Mass:127.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:9
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanoic acid, 3-cyano-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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