(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate
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(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate
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CAS No:
5456-17-7
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Formula:
C17H31NO2S
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Chemical Name:
(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate
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Synonyms:
5456-17-7;NSC1226;(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate;DTXSID50277225;NSC-1226;THIOCYANATOACETIC ACID, 4-ETHYL-1-ISOBUTYLOCTYL ESTER
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CAS No:
(7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate Basic Attributes
313.5 g/mol
313.20755041 g/mol
1226
DTXSID50277225
Computed Properties
Molecular Weight:313.5
XLogP3:6.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:13
Exact Mass:313.20755041
Monoisotopic Mass:313.20755041
Topological Polar Surface Area:75.4
Heavy Atom Count:21
Complexity:324
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
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2-bicyclo[2.2.1]hept-5-enylmethyl 2-thiocyanatoacetate
63906-51-4
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tetradecyl 2-thiocyanatoacetate
5399-27-9
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2-ethylhexyl 2-thiocyanatoacetate
5334-89-4
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nonyl 2-thiocyanatoacetate Formula
5327-03-7
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dodecyl 2-thiocyanatoacetate Formula
5345-66-4
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Hexyl 2-thiocyanatoacetate Formula
13287-48-4
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heptyl 2-thiocyanatoacetate Structure
5345-65-3
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tert-butyl 2-thiocyanatoacetate Structure
37073-49-7
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