CAS: 1116-98-9
이름: tert-butyl 2-cyanoacetate
SMILES:
CC(C)(C)OC(=O)CC#NMolecular Processing
Molecular formula
C7H11NO2
Molecular weight
141.17
Exact mass
141.079
XLogP
1.24
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
36.07
Supplementary Information
InChIKey: BFNYNEMRWHFIMR-UHFFFAOYSA-N
동의어
tert-Butyl cyanoacetatetert-butyl 2-cyanoacetateAcetic acid, cyano-, 1,1-dimethylethyl esterCyanoacetic Acid tert-Butyl EsterAcetic acid, cyano-, tert-butyl esterPWT31M9VDL1,1-dimethylethyl cyanoacetateNSC 1072NSC-1072EINECS 214-243-7UNII-PWT31M9VDLNCCH2C(O)OC(CH3)3DTXSID8061501BFNYNEMRWHFIMR-UHFFFAOYSA-Acetic acid, 2-cyano-, 1,1-dimethylethyl esterTERT-BUTYL .ALPHA.-CYANOACETATERefChem:188200DTXCID2033235TERT-BUTYL ALPHA-CYANOACETATE214-243-7BFNYNEMRWHFIMR-UHFFFAOYSA-NInChI=1/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H31116-98-9t-Butyl cyanoacetateMFCD00001938tert-butylcyanoacetatetert-Butyl 2-Cyanoacetate; tert-Butyl Cyanoacetatet-butylcyanoacetateCyanoacetic Acid 1,1-Dimethylethyl Ester; Cyanoacetic Acid tert-Butyl Ester; 1,1-Dimethylethyl Cyanoacetate; Cyanoacetic Acid tert-Butyl Ester; NSC 1072;tert-butyl2-cyanoacetate
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