COC(=O)CCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Name: methyl 6-(4-nitrophenoxy)hexanoate
SMILES: COC(=O)CCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

Molecular Processing

Molecular formula
C13H17NO5
Molecular weight
267.28
Exact mass
267.1107
XLogP
2.71
TPSA
78.67
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
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
69.08

Supplementary Information

InChIKey: CVEFTEADWHWATB-UHFFFAOYSA-N
Synonyms
SCHEMBL831490CVEFTEADWHWATB-UHFFFAOYSA-N6-(4-Nitrophenoxy)-hexanoic acid methyl ester6-(4-Nitro-phenoxy)-hexanoic acid methyl ester
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Involved in 17 reactions→

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