CC(C)(C[N+]#[C-])OC(=O)OC
名称: (1-isocyano-2-methylpropan-2-yl) methyl carbonate
SMILES: CC(C)(C[N+]#[C-])OC(=O)OC

Molecular Processing

Molecular formula
C7H11NO3
Molecular weight
157.17
Exact mass
157.0739
XLogP
1.47
TPSA
39.89
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
39.04

Supplementary Information

InChIKey: ZEBAULDRUAERLA-UHFFFAOYSA-N
同義語
SCHEMBL12273953ZEBAULDRUAERLA-UHFFFAOYSA-N1-isocyano-2-methylpropan-2-yl methyl carbonate
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