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3-CYANO-3-ETHYL-5-METHYLHEXANOICACIDETHYLESTER

3-CYANO-3-ETHYL-5-METHYLHEXANOICACIDETHYLESTER structure

CAS No:
90355-26-3
Formula:
C12H21NO2
Chemical Name:
3-CYANO-3-ETHYL-5-METHYLHEXANOICACIDETHYLESTER
Synonyms:
3-CYANO-3-ETHYL-5-METHYLHEXANOIC ACID ETHYL ESTER;Hexanoic acid, 3-cyano-3-ethyl-5-methyl-, ethyl ester;CTK5G7699;DTXSID20462646;850080-27-2;ETHYL 3-CYANO-3-ETHYL-5-METHYLHEXANOATE

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3-CYANO-3-ETHYL-5-METHYLHEXANOICACIDETHYLESTER Basic Attributes

Molecular Weight：

211.30100

Exact Mass：

211.15700

DSSTox ID：

DTXSID20462646

Characteristics

PSA：

50.09000

XLogP3：

2.90568

Density：

0.952g/cm3

Boiling Point：

293.1ºC at 760 mmHg

Flash Point：

134.7ºC

Refractive Index：

1.44

Computed Properties

Molecular Weight:211.30
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:211.157228913
Monoisotopic Mass:211.157228913
Topological Polar Surface Area:50.1
Heavy Atom Count:15
Complexity:252
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-CYANO-3-ETHYL-5-METHYLHEXANOICACIDETHYLESTER

Basic Attributes
Characteristics
Computed Properties

3-CYANO-3-ETHYL-5-METHYLHEXANOICACIDETHYLESTER

SDS

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