CCCCOC(=O)C(C)[N+]#[C-]
CAS: 33140-30-6
Name: butyl 2-isocyanopropanoate
SMILES: CCCCOC(=O)C(C)[N+]#[C-]

Molecular Processing

Molecular formula
C8H13NO2
Molecular weight
155.2
Exact mass
155.0946
XLogP
1.64
TPSA
30.66
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
11
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
0.75
Molar refractivity
41.93

Supplementary Information

InChIKey: NQUOYYARPZVTHH-UHFFFAOYSA-N
Synonyms
n-butyl alpha-isocyanopropionateButyl 2-isocyanopropanoate33140-30-6SCHEMBL4633703DTXSID10457521NQUOYYARPZVTHH-UHFFFAOYSA-N
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Involved in 10 reactions→

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