CAS: 105-34-0
이름: methyl 2-cyanoacetate
SMILES:
COC(=O)CC#NMolecular Processing
Molecular formula
C4H5NO2
Molecular weight
99.09
Exact mass
99.032
XLogP
0.07
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
7
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
0.5
Molar refractivity
22.25
Supplementary Information
InChIKey: ANGDWNBGPBMQHW-UHFFFAOYSA-N
동의어
METHYL CYANOACETATEMethyl 2-cyanoacetate105-34-0Cyanoacetic acid methyl esterMethyl cyanoethanoateAcetic acid, cyano-, methyl esterUSAF KF-22Methylester kyseliny kyanoctoveMalonic methyl ester nitrile3-Methoxy-3-oxopropanenitrileAcetic acid, 2-cyano-, methyl esterDTXSID8033649NSC 3113EINECS 203-288-8UNII-A28RI36V30Methylester kyseliny kyanoctove [Czech]BRN 07739452-cyanoacetic acid, methyl esterAI3-05599A28RI36V30NSC-3113NSC-68507J4.029KDTXCID6013649CHEBI:51928EC 203-288-8METHYL .ALPHA.-CYANOACETATE4-02-00-01889 (Beilstein Handbook Reference)Methyl 2cyanoacetatemethyl alpha-cyanoacetate
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