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ethyl 2,2-bis(2-cyanoethyl)-3-oxobutanoate

ethyl 2,2-bis(2-cyanoethyl)-3-oxobutanoate structure

CAS No:
1112-25-0
Formula:
C12H16N2O3
Chemical Name:
ethyl 2,2-bis(2-cyanoethyl)-3-oxobutanoate
Synonyms:
1112-25-0;Butanoic acid,2-acetyl-4-cyano-2-(2-cyanoethyl)-, ethyl ester;ethyl 2,2-di(2-cyanoethyl)-3-oxobutanoate;NSC3175;Maybridge1_002614;DivK1c_001366;HMS548O18;DTXSID00277619;NSC-3175;ZINC1666622;CCG-46852;AKOS024334124;MCULE-8430506521;CDS1_000326;4-Acetyl-4-(ethoxycarbonyl)heptanedinitrile;DS-010583;ETHYL 2,2-BIS(2-CYANOETHYL)ACETOACETATE;SR-01000636523-1;2,2-bis(2-cyanoethyl)-3-oxo-butyric acid ethyl ester;2,2-bis-(2-cyano-ethyl)-acetoacetic acid ethyl ester;BRD-K33150254-001-01-0

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ethyl 2,2-bis(2-cyanoethyl)-3-oxobutanoate Basic Attributes

Molecular Weight：

236.27 g/mol

Exact Mass：

236.11609238 g/mol

NSC Number：

3175

DSSTox ID：

DTXSID00277619

Characteristics

PSA：

91 Å²

Computed Properties

Molecular Weight:236.27
XLogP3:0.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:236.11609238
Monoisotopic Mass:236.11609238
Topological Polar Surface Area:91
Heavy Atom Count:17
Complexity:363
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2,2-bis(2-cyanoethyl)-3-oxobutanoate

Basic Attributes
Characteristics
Computed Properties
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