CAS: 33142-23-3
이름: ethyl 2-cyano-3-oxopropanoate
SMILES:
CCOC(=O)C(C=O)C#NMolecular Processing
Molecular formula
C6H7NO3
Molecular weight
141.13
Exact mass
141.0426
XLogP
-0.11
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
31.8
Supplementary Information
InChIKey: ROQPWWBEJSZQJD-UHFFFAOYSA-N
동의어
Ethyl -forMylcyanoacetate33142-23-3Ethyl-formylcyanoacetateEthyl 2-cyano-3-oxopropanoateSCHEMBL4530450ROQPWWBEJSZQJD-UHFFFAOYSA-N3-oxo-2-cyanopropanoic acid ethyl esterDB-254806
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