COC(=O)C(C)CC#N
CAS: 39585-12-1
이름: methyl 3-cyano-2-methylpropanoate
SMILES: COC(=O)C(C)CC#N

Molecular Processing

Molecular formula
C6H9NO2
Molecular weight
127.14
Exact mass
127.0633
XLogP
0.71
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
31.41

Supplementary Information

InChIKey: OPJCVJWGOWBMJU-UHFFFAOYSA-N
동의어
Methyl 3-cyano-2-methylpropionate39585-12-1EINECS 254-532-5methyl 3-cyano-2-methylpropanoatemethyl 3-cyanoisobutyratemethyl-3-cyanoisobutyratemethyl-3-cyano-isobutyrateSCHEMBL6830271DTXSID40960194NS00057997
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