COC(=O)CCCCCOC1=CC=C(C=C1)N=C=O
Name: methyl 6-(4-isocyanatophenoxy)hexanoate
SMILES: COC(=O)CCCCCOC1=CC=C(C=C1)N=C=O

Molecular Processing

Molecular formula
C14H17NO4
Molecular weight
263.29
Exact mass
263.1158
XLogP
2.77
TPSA
64.96
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
70.2

Supplementary Information

InChIKey: UTAIOADYNREFIH-UHFFFAOYSA-N
Synonyms
SCHEMBL830677UTAIOADYNREFIH-UHFFFAOYSA-N6-(4-Isocyanato-phenoxy)-hexanoic acid methyl ester6-(4-Isocyanatophenoxy)-hexanoic acid methyl ester
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Involved in 18 reactions→

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